REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2io9_1_B DATA FIRST_RESID 10 DATA SEQUENCE APFGTLLGYA PGGVAIYSSD YSSLDXXXXX XDAVFRSYID DEYMGHKWQC DATA SEQUENCE VEFARRFLFL NYGVVFTDVG MAWEIFSLRF LREVVNDNIL PLQAFPNGSP DATA SEQUENCE RAPVAGALLI WDKGGEFKDT GHVAIITQLH GNKVRIAEQN VIHSPLPQGQ DATA SEQUENCE QWTRELEMVV ENGCYTLKDT FDDTTILGWM IQTEDTEYSL PQPEIAGELL DATA SEQUENCE KISGARLENK GQFDGKWLDE KDPLQNAYVQ ANGQVINQDP YHYYTITESA DATA SEQUENCE EQELIKATNE LHLMYLHATD KVLKDDNLLA LFDIPKILWP RLRLSWQRRR DATA SEQUENCE HHMITGRMDF CMDERGLKVY EYNADSASCH TEAGLILERW AEQGYKGNGF DATA SEQUENCE NPAEGLINEL AGAWKHSRAR PFVHIMQDKD IEENYHAQFM EQALHQAGFE DATA SEQUENCE TRILRGLDEL GWDAAGQLID GEGRLVNCVW KTWAWETAFD QIREVSDREF DATA SEQUENCE AAVPIRTGHP QNEVRLIDVL LRPEVLVFEP LWTVIPGNKA ILPILWSLFP DATA SEQUENCE HHRYLLDTDF TVNDELVKTG YAVKPIAGRC GSNIDLVSHH EEVLDKTSGK DATA SEQUENCE FAEQKNIYQQ LWCLPKVDGK YIQVCTFTVG GNYGGTCLRG DESLVIKKES DATA SEQUENCE DIEPLIVVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.624 177.584 0.067 0.000 1.274 10 A CA 0.000 52.059 52.037 0.036 0.000 0.836 10 A CB 0.000 19.002 19.000 0.003 0.000 0.831 11 P HA 0.371 nan 4.420 nan 0.000 0.271 11 P C -0.061 177.344 177.300 0.175 0.000 1.244 11 P CA -0.191 62.989 63.100 0.134 0.000 0.793 11 P CB 0.178 31.954 31.700 0.128 0.000 0.984 12 F N 1.127 121.138 119.950 0.102 0.000 2.635 12 F HA 0.209 4.738 4.527 0.004 0.000 0.379 12 F C 1.577 177.480 175.800 0.171 0.000 1.094 12 F CA 1.778 59.864 58.000 0.144 0.000 1.300 12 F CB -0.431 38.690 39.000 0.202 0.000 1.035 12 F HN 0.641 nan 8.300 nan 0.000 0.581 13 G N 3.136 111.581 108.800 -0.593 0.000 2.168 13 G HA2 -0.289 3.674 3.960 0.004 0.000 0.257 13 G HA3 -0.289 3.674 3.960 0.004 0.000 0.257 13 G C 0.314 175.097 174.900 -0.195 0.000 0.997 13 G CA 0.416 45.226 45.100 -0.483 0.000 0.708 13 G HN 0.904 nan 8.290 nan 0.000 0.520 14 T N 0.549 115.043 114.554 -0.100 0.000 2.907 14 T HA 0.421 4.773 4.350 0.004 0.000 0.298 14 T C 0.488 175.143 174.700 -0.075 0.000 1.017 14 T CA -0.111 61.963 62.100 -0.044 0.000 1.118 14 T CB 1.585 70.430 68.868 -0.038 0.000 0.948 14 T HN 0.656 nan 8.240 nan 0.000 0.531 15 L N 4.751 125.925 121.223 -0.082 0.000 2.361 15 L HA 0.274 4.616 4.340 0.004 0.000 0.278 15 L C 0.490 177.162 176.870 -0.330 0.000 1.113 15 L CA 0.345 55.004 54.840 -0.301 0.000 0.849 15 L CB -0.181 41.739 42.059 -0.233 0.000 1.155 15 L HN 0.687 nan 8.230 nan 0.000 0.452 16 L N 5.144 126.095 121.223 -0.453 0.000 2.513 16 L HA 0.513 4.856 4.340 0.004 0.000 0.222 16 L C 1.092 177.749 176.870 -0.354 0.000 1.096 16 L CA 0.407 55.040 54.840 -0.345 0.000 0.857 16 L CB -0.410 41.451 42.059 -0.331 0.000 1.026 16 L HN 0.918 nan 8.230 nan 0.000 0.469 17 G N -1.263 107.225 108.800 -0.520 0.000 2.332 17 G HA2 0.132 4.094 3.960 0.004 0.000 0.265 17 G HA3 0.132 4.094 3.960 0.004 0.000 0.265 17 G C -2.092 172.393 174.900 -0.692 0.000 1.329 17 G CA -0.745 44.106 45.100 -0.415 0.000 0.949 17 G HN -0.163 nan 8.290 nan 0.000 0.476 18 Y N -0.324 119.891 120.300 -0.140 0.000 2.534 18 Y HA 0.746 5.299 4.550 0.004 0.000 0.345 18 Y C 0.612 176.530 175.900 0.029 0.000 1.031 18 Y CA -0.134 57.932 58.100 -0.058 0.000 1.022 18 Y CB 2.044 40.482 38.460 -0.037 0.000 1.292 18 Y HN 1.050 nan 8.280 nan 0.000 0.459 19 A N 2.184 125.210 122.820 0.342 0.000 2.252 19 A HA 0.758 5.080 4.320 0.004 0.000 0.305 19 A C -2.758 175.077 177.584 0.417 0.000 1.097 19 A CA -2.102 50.187 52.037 0.420 0.000 0.849 19 A CB -0.003 19.428 19.000 0.718 0.000 1.142 19 A HN 0.494 nan 8.150 nan 0.000 0.499 20 P HA 0.130 nan 4.420 nan 0.000 0.263 20 P C 0.945 178.339 177.300 0.156 0.000 1.168 20 P CA 2.403 65.680 63.100 0.295 0.000 0.759 20 P CB 0.298 32.209 31.700 0.352 0.000 0.782 21 G N 2.445 111.268 108.800 0.039 0.000 2.175 21 G HA2 -0.086 3.877 3.960 0.004 0.000 0.244 21 G HA3 -0.086 3.877 3.960 0.004 0.000 0.244 21 G C 0.711 175.563 174.900 -0.081 0.000 0.982 21 G CA 0.198 45.251 45.100 -0.077 0.000 0.641 21 G HN 1.107 nan 8.290 nan 0.000 0.527 22 G N -1.843 106.950 108.800 -0.012 0.000 2.204 22 G HA2 0.093 4.055 3.960 0.004 0.000 0.244 22 G HA3 0.093 4.055 3.960 0.004 0.000 0.244 22 G C 0.123 175.119 174.900 0.161 0.000 1.062 22 G CA 0.393 45.461 45.100 -0.052 0.000 0.798 22 G HN 1.602 nan 8.290 nan 0.000 0.496 23 V N 1.014 121.072 119.914 0.240 0.000 2.348 23 V HA 0.685 4.808 4.120 0.004 0.000 0.270 23 V C 1.143 177.426 176.094 0.315 0.000 1.037 23 V CA -0.275 62.165 62.300 0.232 0.000 0.872 23 V CB 0.911 32.819 31.823 0.141 0.000 1.002 23 V HN 1.188 nan 8.190 nan 0.000 0.464 24 A N 6.695 129.594 122.820 0.130 0.000 2.507 24 A HA 0.547 4.869 4.320 0.004 0.000 0.235 24 A C -0.183 177.126 177.584 -0.458 0.000 1.070 24 A CA 0.215 51.974 52.037 -0.463 0.000 0.768 24 A CB 0.040 18.594 19.000 -0.744 0.000 1.011 24 A HN 0.780 nan 8.150 nan 0.000 0.502 25 I N 1.227 121.289 120.570 -0.846 0.000 2.468 25 I HA 0.323 4.495 4.170 0.004 0.000 0.285 25 I C -1.341 174.217 176.117 -0.932 0.000 1.039 25 I CA -0.159 60.731 61.300 -0.683 0.000 1.074 25 I CB 1.372 39.036 38.000 -0.560 0.000 1.228 25 I HN 0.648 nan 8.210 nan 0.000 0.436 26 Y N 3.110 123.092 120.300 -0.531 0.000 2.446 26 Y HA 0.368 4.920 4.550 0.003 0.000 0.338 26 Y C 0.811 176.423 175.900 -0.479 0.000 1.055 26 Y CA -0.701 56.987 58.100 -0.688 0.000 1.101 26 Y CB 1.942 39.532 38.460 -1.450 0.000 1.221 26 Y HN 0.479 nan 8.280 nan 0.000 0.460 27 S N 0.949 116.510 115.700 -0.232 0.000 2.531 27 S HA 0.067 4.540 4.470 0.004 0.000 0.279 27 S C 0.485 175.054 174.600 -0.050 0.000 1.305 27 S CA -0.226 57.920 58.200 -0.090 0.000 1.058 27 S CB 0.412 63.607 63.200 -0.008 0.000 0.899 27 S HN 0.666 nan 8.310 nan 0.000 0.493 28 S N 3.134 118.938 115.700 0.173 0.000 2.525 28 S HA 0.205 4.678 4.470 0.004 0.000 0.242 28 S C -0.662 173.971 174.600 0.056 0.000 1.164 28 S CA -0.655 57.616 58.200 0.119 0.000 1.154 28 S CB -0.300 63.010 63.200 0.183 0.000 0.875 28 S HN 0.820 nan 8.310 nan 0.000 0.482 29 D N 1.783 122.279 120.400 0.160 0.000 2.380 29 D HA 0.263 4.906 4.640 0.004 0.000 0.230 29 D C -0.706 175.667 176.300 0.123 0.000 1.154 29 D CA -0.120 53.871 54.000 -0.015 0.000 0.859 29 D CB 0.177 40.917 40.800 -0.100 0.000 1.045 29 D HN 0.308 nan 8.370 nan 0.000 0.495 30 Y N 1.383 121.808 120.300 0.208 0.000 2.403 30 Y HA 0.506 5.058 4.550 0.004 0.000 0.323 30 Y C 0.879 176.802 175.900 0.038 0.000 1.226 30 Y CA -0.955 57.193 58.100 0.080 0.000 1.235 30 Y CB 1.581 40.013 38.460 -0.048 0.000 1.248 30 Y HN 0.236 nan 8.280 nan 0.000 0.489 31 S N -0.380 115.434 115.700 0.190 0.000 2.549 31 S HA 0.284 4.756 4.470 0.004 0.000 0.280 31 S C 0.604 175.246 174.600 0.070 0.000 1.109 31 S CA -0.530 57.734 58.200 0.106 0.000 0.905 31 S CB 1.722 64.970 63.200 0.081 0.000 1.081 31 S HN 0.686 nan 8.310 nan 0.000 0.477 32 S N 2.112 117.836 115.700 0.041 0.000 2.419 32 S HA -0.004 4.468 4.470 0.004 0.000 0.235 32 S C 1.438 176.052 174.600 0.023 0.000 1.019 32 S CA 1.222 59.433 58.200 0.019 0.000 0.982 32 S CB -0.602 62.603 63.200 0.009 0.000 0.789 32 S HN 0.665 nan 8.310 nan 0.000 0.490 33 L N 0.945 122.187 121.223 0.032 0.000 2.599 33 L HA 0.196 4.539 4.340 0.004 0.000 0.230 33 L C 0.264 177.159 176.870 0.042 0.000 1.141 33 L CA -0.002 54.857 54.840 0.032 0.000 0.877 33 L CB -0.673 41.404 42.059 0.030 0.000 1.009 33 L HN 0.409 nan 8.230 nan 0.000 0.447 42 A N 0.375 123.293 122.820 0.163 0.000 2.081 42 A HA 0.220 4.543 4.320 0.004 0.000 0.214 42 A C 1.886 179.564 177.584 0.157 0.000 1.158 42 A CA 1.147 53.340 52.037 0.260 0.000 0.724 42 A CB -0.200 18.934 19.000 0.223 0.000 0.826 42 A HN 0.150 nan 8.150 nan 0.000 0.463 43 V N -1.000 118.872 119.914 -0.070 0.000 2.867 43 V HA -0.175 3.948 4.120 0.004 0.000 0.260 43 V C 1.859 177.751 176.094 -0.337 0.000 1.099 43 V CA 1.331 63.502 62.300 -0.215 0.000 1.122 43 V CB -1.216 30.391 31.823 -0.361 0.000 0.708 43 V HN 0.536 nan 8.190 nan 0.000 0.490 44 F N 0.039 119.943 119.950 -0.078 0.000 2.615 44 F HA 0.176 4.706 4.527 0.004 0.000 0.297 44 F C 1.555 177.124 175.800 -0.385 0.000 1.124 44 F CA -0.168 57.637 58.000 -0.326 0.000 1.451 44 F CB -0.241 38.420 39.000 -0.564 0.000 1.103 44 F HN 0.013 nan 8.300 nan 0.000 0.569 45 R N 0.621 121.146 120.500 0.042 0.000 2.401 45 R HA 0.193 4.535 4.340 0.004 0.000 0.299 45 R C 0.280 176.546 176.300 -0.058 0.000 1.064 45 R CA -0.052 56.095 56.100 0.077 0.000 1.000 45 R CB 0.756 31.183 30.300 0.211 0.000 0.973 45 R HN -0.049 nan 8.270 nan 0.000 0.438 46 S N 3.340 118.858 115.700 -0.304 0.000 2.442 46 S HA 0.445 4.918 4.470 0.004 0.000 0.297 46 S C -1.261 173.135 174.600 -0.339 0.000 1.131 46 S CA -0.495 57.526 58.200 -0.299 0.000 1.092 46 S CB 0.409 63.345 63.200 -0.440 0.000 0.998 46 S HN 0.425 nan 8.310 nan 0.000 0.478 47 Y N 2.983 123.265 120.300 -0.029 0.000 2.545 47 Y HA 0.610 5.162 4.550 0.004 0.000 0.348 47 Y C -0.205 175.719 175.900 0.039 0.000 1.002 47 Y CA -1.147 56.952 58.100 -0.002 0.000 1.039 47 Y CB 1.575 40.061 38.460 0.044 0.000 1.271 47 Y HN 0.434 nan 8.280 nan 0.000 0.467 48 I N 3.280 123.980 120.570 0.216 0.000 2.448 48 I HA 0.215 4.387 4.170 0.004 0.000 0.281 48 I C -0.240 176.016 176.117 0.231 0.000 1.027 48 I CA -0.440 61.011 61.300 0.251 0.000 1.111 48 I CB 0.568 38.815 38.000 0.411 0.000 1.236 48 I HN 0.820 nan 8.210 nan 0.000 0.452 49 D N 4.090 124.599 120.400 0.182 0.000 4.089 49 D HA -0.254 4.388 4.640 0.004 0.000 0.141 49 D C 0.381 176.717 176.300 0.059 0.000 0.858 49 D CA 1.434 55.504 54.000 0.117 0.000 1.094 49 D CB -0.160 40.724 40.800 0.141 0.000 0.550 49 D HN 0.500 nan 8.370 nan 0.000 0.562 50 D N 0.843 121.232 120.400 -0.018 0.000 2.379 50 D HA 0.103 4.745 4.640 0.004 0.000 0.208 50 D C 0.235 176.406 176.300 -0.215 0.000 1.065 50 D CA 0.295 54.182 54.000 -0.188 0.000 0.848 50 D CB 0.152 40.742 40.800 -0.350 0.000 0.949 50 D HN 0.108 nan 8.370 nan 0.000 0.509 51 E N 0.645 120.785 120.200 -0.100 0.000 2.152 51 E HA 0.061 4.413 4.350 0.004 0.000 0.285 51 E C -1.035 175.511 176.600 -0.089 0.000 1.043 51 E CA -0.623 55.658 56.400 -0.198 0.000 0.839 51 E CB 0.157 29.505 29.700 -0.586 0.000 1.069 51 E HN 0.010 nan 8.360 nan 0.000 0.399 52 Y N 5.620 125.762 120.300 -0.265 0.000 2.496 52 Y HA 0.004 4.556 4.550 0.004 0.000 0.334 52 Y C 0.727 176.372 175.900 -0.425 0.000 1.080 52 Y CA 0.127 57.870 58.100 -0.595 0.000 1.355 52 Y CB 0.568 38.729 38.460 -0.498 0.000 1.193 52 Y HN 0.597 nan 8.280 nan 0.000 0.523 53 M N 4.246 123.345 119.600 -0.834 0.000 2.466 53 M HA 0.283 4.765 4.480 0.004 0.000 0.265 53 M C 1.022 176.862 176.300 -0.766 0.000 1.122 53 M CA 1.146 56.078 55.300 -0.614 0.000 1.157 53 M CB -0.635 31.776 32.600 -0.315 0.000 1.352 53 M HN 0.886 nan 8.290 nan 0.000 0.464 54 G N -1.201 106.804 108.800 -1.325 0.000 2.334 54 G HA2 -0.003 3.960 3.960 0.004 0.000 0.249 54 G HA3 -0.003 3.960 3.960 0.004 0.000 0.249 54 G C -1.423 173.170 174.900 -0.511 0.000 1.327 54 G CA -0.790 43.746 45.100 -0.941 0.000 0.979 54 G HN 0.352 nan 8.290 nan 0.000 0.471 55 H N 1.698 120.658 119.070 -0.185 0.000 2.476 55 H HA 0.406 4.965 4.556 0.004 0.000 0.328 55 H C 0.041 175.325 175.328 -0.073 0.000 1.073 55 H CA -0.336 55.688 56.048 -0.041 0.000 1.229 55 H CB 0.980 30.785 29.762 0.071 0.000 1.432 55 H HN 0.381 nan 8.280 nan 0.000 0.477 56 K N 4.609 124.742 120.400 -0.445 0.000 2.416 56 K HA -0.056 4.266 4.320 0.004 0.000 0.283 56 K C -0.681 175.993 176.600 0.124 0.000 1.037 56 K CA 0.440 56.278 56.287 -0.748 0.000 0.995 56 K CB 0.727 32.336 32.500 -1.486 0.000 0.938 56 K HN 0.475 nan 8.250 nan 0.000 0.475 57 W N 3.305 124.774 121.300 0.281 0.000 2.148 57 W HA 0.167 4.829 4.660 0.003 0.000 0.288 57 W C -0.195 176.418 176.519 0.157 0.000 0.920 57 W CA -0.658 56.753 57.345 0.110 0.000 1.904 57 W CB 0.767 30.183 29.460 -0.073 0.000 2.083 57 W HN 0.477 nan 8.180 nan 0.000 0.398 58 Q N -0.026 119.996 119.800 0.370 0.000 2.407 58 Q HA 0.117 4.459 4.340 0.004 0.000 0.214 58 Q C 1.644 177.819 176.000 0.291 0.000 1.043 58 Q CA -0.200 55.789 55.803 0.311 0.000 0.983 58 Q CB 0.948 29.854 28.738 0.280 0.000 1.211 58 Q HN 0.537 nan 8.270 nan 0.000 0.564 59 C N -1.685 117.761 119.300 0.244 0.000 2.413 59 C HA -0.108 4.354 4.460 0.004 0.000 0.276 59 C C 2.282 177.404 174.990 0.219 0.000 1.236 59 C CA 0.444 59.583 59.018 0.201 0.000 1.735 59 C CB -1.214 26.592 27.740 0.110 0.000 2.031 59 C HN 0.678 nan 8.230 nan 0.000 0.474 60 V N 1.653 121.688 119.914 0.201 0.000 2.407 60 V HA -0.205 3.917 4.120 0.004 0.000 0.248 60 V C 3.086 179.325 176.094 0.240 0.000 1.055 60 V CA 2.392 64.846 62.300 0.257 0.000 1.049 60 V CB -0.938 31.026 31.823 0.234 0.000 0.662 60 V HN 0.613 nan 8.190 nan 0.000 0.455 61 E N 0.065 120.380 120.200 0.193 0.000 2.051 61 E HA -0.254 4.098 4.350 0.004 0.000 0.192 61 E C 2.136 178.865 176.600 0.216 0.000 0.991 61 E CA 1.751 58.227 56.400 0.125 0.000 0.799 61 E CB -0.254 29.531 29.700 0.143 0.000 0.748 61 E HN 0.574 nan 8.360 nan 0.000 0.449 62 F N 1.288 121.363 119.950 0.209 0.000 2.075 62 F HA -0.146 4.384 4.527 0.005 0.000 0.297 62 F C 2.267 178.210 175.800 0.239 0.000 1.113 62 F CA 1.987 60.118 58.000 0.218 0.000 1.218 62 F CB -0.701 38.399 39.000 0.166 0.000 0.984 62 F HN 0.061 nan 8.300 nan 0.000 0.472 63 A N 0.572 123.488 122.820 0.160 0.000 1.892 63 A HA -0.272 4.051 4.320 0.004 0.000 0.218 63 A C 2.324 180.031 177.584 0.205 0.000 1.188 63 A CA 2.131 54.271 52.037 0.172 0.000 0.631 63 A CB -0.977 18.230 19.000 0.345 0.000 0.822 63 A HN 0.506 nan 8.150 nan 0.000 0.447 64 R N -0.569 120.006 120.500 0.127 0.000 2.073 64 R HA -0.131 4.212 4.340 0.004 0.000 0.234 64 R C 2.427 178.698 176.300 -0.050 0.000 1.134 64 R CA 1.800 57.797 56.100 -0.172 0.000 0.952 64 R CB -0.305 29.671 30.300 -0.540 0.000 0.850 64 R HN 0.543 nan 8.270 nan 0.000 0.433 65 R N -0.688 119.787 120.500 -0.042 0.000 2.081 65 R HA -0.171 4.171 4.340 0.004 0.000 0.235 65 R C 2.040 178.308 176.300 -0.053 0.000 1.131 65 R CA 1.841 57.952 56.100 0.019 0.000 0.960 65 R CB -0.550 29.782 30.300 0.053 0.000 0.856 65 R HN 0.294 nan 8.270 nan 0.000 0.436 66 F N 1.143 120.882 119.950 -0.352 0.000 2.043 66 F HA -0.231 4.300 4.527 0.006 0.000 0.297 66 F C 1.816 177.471 175.800 -0.242 0.000 1.121 66 F CA 1.794 59.558 58.000 -0.393 0.000 1.199 66 F CB -0.298 38.359 39.000 -0.571 0.000 0.968 66 F HN -0.001 nan 8.300 nan 0.000 0.478 67 L N -1.056 120.250 121.223 0.138 0.000 2.079 67 L HA -0.244 4.098 4.340 0.004 0.000 0.210 67 L C 2.444 179.364 176.870 0.083 0.000 1.081 67 L CA 1.603 56.561 54.840 0.197 0.000 0.752 67 L CB -0.966 41.322 42.059 0.382 0.000 0.896 67 L HN 0.276 nan 8.230 nan 0.000 0.433 68 F N 0.711 120.609 119.950 -0.088 0.000 2.149 68 F HA -0.103 4.427 4.527 0.004 0.000 0.294 68 F C 2.203 177.922 175.800 -0.135 0.000 1.095 68 F CA 1.228 59.182 58.000 -0.078 0.000 1.276 68 F CB -0.206 38.752 39.000 -0.070 0.000 1.023 68 F HN -0.153 nan 8.300 nan 0.000 0.480 69 L N -0.019 121.005 121.223 -0.331 0.000 2.141 69 L HA -0.178 4.165 4.340 0.004 0.000 0.209 69 L C 1.687 178.263 176.870 -0.490 0.000 1.094 69 L CA 1.691 56.259 54.840 -0.454 0.000 0.763 69 L CB -0.684 41.189 42.059 -0.309 0.000 0.908 69 L HN 0.220 nan 8.230 nan 0.000 0.437 70 N N -1.779 116.535 118.700 -0.644 0.000 2.432 70 N HA -0.020 4.723 4.740 0.004 0.000 0.174 70 N C 0.652 175.847 175.510 -0.524 0.000 1.037 70 N CA 0.501 53.095 53.050 -0.760 0.000 0.892 70 N CB 0.315 37.996 38.487 -1.343 0.000 1.049 70 N HN 0.287 nan 8.380 nan 0.000 0.442 71 Y N -1.116 119.117 120.300 -0.112 0.000 2.675 71 Y HA 0.370 4.922 4.550 0.004 0.000 0.248 71 Y C 1.206 177.097 175.900 -0.015 0.000 1.161 71 Y CA -0.607 57.474 58.100 -0.032 0.000 1.203 71 Y CB 0.954 39.440 38.460 0.044 0.000 1.262 71 Y HN -0.075 nan 8.280 nan 0.000 0.544 72 G N 1.906 110.706 108.800 0.000 0.000 2.296 72 G HA2 -0.264 3.699 3.960 0.004 0.000 0.282 72 G HA3 -0.264 3.699 3.960 0.004 0.000 0.282 72 G C -0.035 175.019 174.900 0.256 0.000 1.014 72 G CA 0.708 45.825 45.100 0.027 0.000 0.812 72 G HN 0.501 nan 8.290 nan 0.000 0.508 73 V N -3.377 116.724 119.914 0.311 0.000 3.074 73 V HA 0.963 5.086 4.120 0.004 0.000 0.314 73 V C 0.288 176.552 176.094 0.283 0.000 1.117 73 V CA -0.481 61.997 62.300 0.298 0.000 1.014 73 V CB 2.240 34.224 31.823 0.268 0.000 1.057 73 V HN 1.600 nan 8.190 nan 0.000 0.438 74 V N 0.053 120.086 119.914 0.198 0.000 3.159 74 V HA 0.856 4.979 4.120 0.004 0.000 0.308 74 V C -0.766 175.414 176.094 0.143 0.000 1.190 74 V CA -0.816 61.515 62.300 0.053 0.000 1.037 74 V CB 1.662 33.415 31.823 -0.116 0.000 1.060 74 V HN 1.527 nan 8.190 nan 0.000 0.437 75 F N -1.022 119.010 119.950 0.137 0.000 2.507 75 F HA 0.858 5.388 4.527 0.005 0.000 0.327 75 F C 0.458 176.324 175.800 0.109 0.000 1.068 75 F CA -0.879 57.197 58.000 0.126 0.000 0.965 75 F CB 1.106 40.155 39.000 0.082 0.000 1.192 75 F HN 0.714 nan 8.300 nan 0.000 0.476 76 T N 0.842 115.593 114.554 0.329 0.000 2.855 76 T HA 0.004 4.356 4.350 0.004 0.000 0.322 76 T C -0.386 174.460 174.700 0.244 0.000 1.088 76 T CA 0.098 62.340 62.100 0.236 0.000 1.104 76 T CB 0.010 68.987 68.868 0.182 0.000 0.996 76 T HN 0.820 nan 8.240 nan 0.000 0.549 77 D N 0.870 121.376 120.400 0.178 0.000 2.488 77 D HA 0.297 4.939 4.640 0.004 0.000 0.238 77 D C -0.302 176.073 176.300 0.125 0.000 1.138 77 D CA 0.160 54.260 54.000 0.167 0.000 0.873 77 D CB 0.416 41.299 40.800 0.137 0.000 1.183 77 D HN 0.374 nan 8.370 nan 0.000 0.458 78 V N 1.120 121.101 119.914 0.112 0.000 2.876 78 V HA 0.762 4.885 4.120 0.004 0.000 0.312 78 V C 1.110 177.189 176.094 -0.024 0.000 1.085 78 V CA -0.213 62.087 62.300 0.001 0.000 0.945 78 V CB 1.413 33.205 31.823 -0.052 0.000 1.017 78 V HN 0.542 nan 8.190 nan 0.000 0.428 79 G N 2.786 111.526 108.800 -0.100 0.000 2.454 79 G HA2 0.124 4.086 3.960 0.004 0.000 0.214 79 G HA3 0.124 4.086 3.960 0.004 0.000 0.214 79 G C 0.573 175.419 174.900 -0.090 0.000 1.217 79 G CA 0.661 45.715 45.100 -0.076 0.000 0.799 79 G HN 0.545 nan 8.290 nan 0.000 0.538 80 M N -0.313 119.152 119.600 -0.224 0.000 2.528 80 M HA 0.580 5.063 4.480 0.004 0.000 0.321 80 M C 1.444 177.557 176.300 -0.311 0.000 1.153 80 M CA -1.305 53.874 55.300 -0.203 0.000 0.951 80 M CB 1.435 33.966 32.600 -0.115 0.000 1.705 80 M HN 0.155 nan 8.290 nan 0.000 0.451 81 A N 3.309 126.073 122.820 -0.093 0.000 1.927 81 A HA -0.159 4.163 4.320 0.004 0.000 0.220 81 A C 1.742 179.275 177.584 -0.085 0.000 1.185 81 A CA 2.306 54.306 52.037 -0.063 0.000 0.639 81 A CB -0.982 18.032 19.000 0.022 0.000 0.820 81 A HN 0.965 nan 8.150 nan 0.000 0.451 82 W N 0.523 121.858 121.300 0.059 0.000 2.387 82 W HA -0.161 4.501 4.660 0.005 0.000 0.272 82 W C 1.097 177.659 176.519 0.073 0.000 1.224 82 W CA 1.116 58.503 57.345 0.069 0.000 1.210 82 W CB -0.950 28.554 29.460 0.073 0.000 1.125 82 W HN 0.546 nan 8.180 nan 0.000 0.572 83 E N 1.159 120.882 120.200 -0.795 0.000 2.268 83 E HA -0.143 4.209 4.350 0.004 0.000 0.195 83 E C 2.170 178.618 176.600 -0.252 0.000 0.995 83 E CA 1.277 57.273 56.400 -0.673 0.000 0.836 83 E CB -0.373 28.837 29.700 -0.816 0.000 0.763 83 E HN 0.349 nan 8.360 nan 0.000 0.491 84 I N 0.772 121.216 120.570 -0.210 0.000 2.194 84 I HA -0.284 3.889 4.170 0.004 0.000 0.246 84 I C 2.230 178.294 176.117 -0.089 0.000 1.093 84 I CA 1.056 62.220 61.300 -0.227 0.000 1.355 84 I CB -0.296 37.488 38.000 -0.359 0.000 1.046 84 I HN 0.058 nan 8.210 nan 0.000 0.413 85 F N 1.381 121.265 119.950 -0.110 0.000 2.373 85 F HA -0.222 4.308 4.527 0.004 0.000 0.300 85 F C 2.400 178.155 175.800 -0.075 0.000 1.080 85 F CA 1.342 59.304 58.000 -0.064 0.000 1.417 85 F CB -0.208 38.801 39.000 0.014 0.000 1.070 85 F HN -0.043 nan 8.300 nan 0.000 0.546 86 S N -0.167 115.512 115.700 -0.036 0.000 2.524 86 S HA 0.189 4.661 4.470 0.004 0.000 0.216 86 S C 0.749 175.235 174.600 -0.189 0.000 0.987 86 S CA -0.231 57.907 58.200 -0.105 0.000 0.909 86 S CB -0.145 63.047 63.200 -0.014 0.000 0.781 86 S HN 0.068 nan 8.310 nan 0.000 0.521 87 L N 1.811 122.906 121.223 -0.214 0.000 2.439 87 L HA 0.286 4.629 4.340 0.004 0.000 0.269 87 L C 1.344 178.049 176.870 -0.274 0.000 1.179 87 L CA -0.143 54.538 54.840 -0.265 0.000 0.828 87 L CB 0.299 42.210 42.059 -0.247 0.000 1.106 87 L HN -0.003 nan 8.230 nan 0.000 0.467 88 R N 2.671 122.984 120.500 -0.312 0.000 2.596 88 R HA 0.271 4.613 4.340 0.004 0.000 0.369 88 R C -1.018 175.290 176.300 0.014 0.000 1.042 88 R CA -0.015 55.980 56.100 -0.175 0.000 1.120 88 R CB 0.471 30.687 30.300 -0.140 0.000 1.353 88 R HN 0.583 nan 8.270 nan 0.000 0.564 89 F N -1.995 117.965 119.950 0.016 0.000 2.773 89 F HA 0.606 5.136 4.527 0.004 0.000 0.314 89 F C -1.939 173.917 175.800 0.093 0.000 1.160 89 F CA -1.708 56.322 58.000 0.049 0.000 0.920 89 F CB 0.850 39.884 39.000 0.056 0.000 1.323 89 F HN -0.257 nan 8.300 nan 0.000 0.457 90 L N 1.923 123.490 121.223 0.572 0.000 2.401 90 L HA 0.626 4.968 4.340 0.004 0.000 0.266 90 L C -0.524 176.516 176.870 0.284 0.000 0.991 90 L CA -0.999 54.099 54.840 0.430 0.000 0.818 90 L CB 2.371 44.609 42.059 0.299 0.000 1.321 90 L HN 0.842 nan 8.230 nan 0.000 0.413 91 R N 2.005 122.656 120.500 0.252 0.000 2.221 91 R HA 0.206 4.548 4.340 0.004 0.000 0.327 91 R C -0.363 176.017 176.300 0.134 0.000 1.033 91 R CA -0.388 55.788 56.100 0.126 0.000 0.887 91 R CB 0.975 31.360 30.300 0.141 0.000 1.057 91 R HN 0.624 nan 8.270 nan 0.000 0.455 92 E N 4.232 124.490 120.200 0.096 0.000 2.052 92 E HA 0.051 4.404 4.350 0.004 0.000 0.283 92 E C 0.686 177.360 176.600 0.123 0.000 1.071 92 E CA -0.445 56.026 56.400 0.118 0.000 0.851 92 E CB 1.024 30.775 29.700 0.085 0.000 1.066 92 E HN 0.614 nan 8.360 nan 0.000 0.396 93 V N 4.678 124.698 119.914 0.176 0.000 2.252 93 V HA -0.291 3.831 4.120 0.004 0.000 0.249 93 V C 2.275 178.449 176.094 0.133 0.000 1.056 93 V CA 2.010 64.419 62.300 0.181 0.000 1.022 93 V CB -0.845 31.180 31.823 0.338 0.000 0.641 93 V HN 0.813 nan 8.190 nan 0.000 0.445 94 V N 1.402 121.390 119.914 0.124 0.000 2.568 94 V HA -0.179 3.943 4.120 0.004 0.000 0.253 94 V C 1.574 177.697 176.094 0.048 0.000 1.072 94 V CA 2.426 64.771 62.300 0.075 0.000 1.084 94 V CB -1.113 30.743 31.823 0.055 0.000 0.676 94 V HN 0.841 nan 8.190 nan 0.000 0.469 95 N N -2.010 116.726 118.700 0.060 0.000 2.197 95 N HA 0.117 4.859 4.740 0.004 0.000 0.228 95 N C 0.394 175.959 175.510 0.091 0.000 1.212 95 N CA 0.350 53.435 53.050 0.059 0.000 0.883 95 N CB -0.013 38.507 38.487 0.055 0.000 1.107 95 N HN 0.389 nan 8.380 nan 0.000 0.519 96 D N -0.430 120.026 120.400 0.093 0.000 2.983 96 D HA -0.201 4.441 4.640 0.004 0.000 0.225 96 D C -0.565 175.852 176.300 0.195 0.000 1.174 96 D CA 0.588 54.670 54.000 0.136 0.000 0.831 96 D CB -1.125 39.783 40.800 0.180 0.000 1.104 96 D HN 0.479 nan 8.370 nan 0.000 0.421 97 N N 0.415 119.185 118.700 0.117 0.000 2.415 97 N HA 0.118 4.861 4.740 0.004 0.000 0.248 97 N C -0.053 175.363 175.510 -0.156 0.000 1.271 97 N CA 0.284 53.360 53.050 0.043 0.000 0.913 97 N CB 0.504 39.020 38.487 0.050 0.000 1.129 97 N HN 0.077 nan 8.380 nan 0.000 0.444 98 I N 3.577 123.960 120.570 -0.312 0.000 2.439 98 I HA 0.331 4.504 4.170 0.004 0.000 0.285 98 I C -0.092 175.918 176.117 -0.179 0.000 1.021 98 I CA -0.413 60.661 61.300 -0.376 0.000 1.091 98 I CB 0.957 38.550 38.000 -0.679 0.000 1.242 98 I HN 0.307 nan 8.210 nan 0.000 0.439 99 L N 7.623 128.813 121.223 -0.054 0.000 2.344 99 L HA 0.587 4.929 4.340 0.004 0.000 0.272 99 L C -2.200 174.736 176.870 0.111 0.000 1.035 99 L CA -1.763 53.098 54.840 0.034 0.000 0.807 99 L CB 1.912 44.010 42.059 0.064 0.000 1.237 99 L HN 0.319 nan 8.230 nan 0.000 0.442 100 P HA 0.201 nan 4.420 nan 0.000 0.279 100 P C -1.244 176.120 177.300 0.107 0.000 1.239 100 P CA -0.426 62.745 63.100 0.118 0.000 0.789 100 P CB 1.945 33.685 31.700 0.067 0.000 0.933 101 L N 3.399 124.678 121.223 0.093 0.000 2.372 101 L HA 0.364 4.707 4.340 0.004 0.000 0.274 101 L C -0.488 176.340 176.870 -0.070 0.000 0.988 101 L CA -0.324 54.542 54.840 0.044 0.000 0.833 101 L CB 1.553 43.648 42.059 0.061 0.000 1.236 101 L HN 0.228 nan 8.230 nan 0.000 0.410 102 Q N 3.407 123.142 119.800 -0.108 0.000 2.226 102 Q HA 0.798 5.141 4.340 0.004 0.000 0.256 102 Q C -0.691 174.963 176.000 -0.576 0.000 0.962 102 Q CA -0.557 55.027 55.803 -0.365 0.000 0.887 102 Q CB 1.980 30.464 28.738 -0.424 0.000 1.282 102 Q HN 0.767 nan 8.270 nan 0.000 0.449 103 A N 1.545 123.845 122.820 -0.868 0.000 2.350 103 A HA 0.836 5.158 4.320 0.004 0.000 0.324 103 A C -1.254 175.686 177.584 -1.073 0.000 1.118 103 A CA -0.513 50.990 52.037 -0.890 0.000 0.783 103 A CB 0.700 18.993 19.000 -1.178 0.000 1.236 103 A HN 0.537 nan 8.150 nan 0.000 0.457 104 F N 2.353 122.149 119.950 -0.257 0.000 2.547 104 F HA 0.498 5.027 4.527 0.004 0.000 0.316 104 F C -2.240 173.309 175.800 -0.417 0.000 1.121 104 F CA -2.094 55.698 58.000 -0.347 0.000 0.911 104 F CB 2.617 41.318 39.000 -0.499 0.000 1.179 104 F HN 0.348 nan 8.300 nan 0.000 0.443 105 P HA 0.014 nan 4.420 nan 0.000 0.275 105 P C -0.545 176.474 177.300 -0.470 0.000 1.228 105 P CA -0.323 62.678 63.100 -0.166 0.000 0.786 105 P CB 0.911 32.581 31.700 -0.050 0.000 0.927 106 N N 1.523 119.972 118.700 -0.418 0.000 2.412 106 N HA 0.148 4.891 4.740 0.004 0.000 0.254 106 N C 0.697 176.163 175.510 -0.073 0.000 1.232 106 N CA 1.743 54.639 53.050 -0.258 0.000 0.880 106 N CB -0.672 37.775 38.487 -0.067 0.000 1.076 106 N HN 0.753 nan 8.380 nan 0.000 0.458 107 G N 1.203 110.074 108.800 0.119 0.000 2.756 107 G HA2 -0.089 3.873 3.960 0.004 0.000 0.272 107 G HA3 -0.089 3.873 3.960 0.004 0.000 0.272 107 G C -0.433 174.505 174.900 0.063 0.000 1.128 107 G CA 0.195 45.358 45.100 0.104 0.000 1.145 107 G HN 0.794 nan 8.290 nan 0.000 0.545 108 S N 0.656 116.457 115.700 0.168 0.000 2.569 108 S HA 0.864 5.337 4.470 0.004 0.000 0.280 108 S C -1.722 172.954 174.600 0.126 0.000 1.111 108 S CA -0.983 57.267 58.200 0.083 0.000 0.887 108 S CB 2.107 65.315 63.200 0.014 0.000 1.095 108 S HN -0.017 nan 8.310 nan 0.000 0.476 109 P HA 0.119 nan 4.420 nan 0.000 0.227 109 P C -0.059 177.102 177.300 -0.231 0.000 1.161 109 P CA 0.316 63.219 63.100 -0.329 0.000 0.788 109 P CB 0.047 31.089 31.700 -1.096 0.000 0.822 110 R N 1.519 121.865 120.500 -0.256 0.000 2.309 110 R HA 0.423 4.766 4.340 0.004 0.000 0.331 110 R C -0.324 175.860 176.300 -0.193 0.000 1.116 110 R CA -0.744 55.216 56.100 -0.234 0.000 0.970 110 R CB -1.393 28.528 30.300 -0.631 0.000 1.024 110 R HN -0.063 nan 8.270 nan 0.000 0.472 111 A N 6.778 129.224 122.820 -0.623 0.000 2.520 111 A HA 0.286 4.609 4.320 0.004 0.000 0.235 111 A C -1.976 175.174 177.584 -0.722 0.000 1.065 111 A CA -0.975 50.319 52.037 -1.240 0.000 0.764 111 A CB -0.258 17.880 19.000 -1.436 0.000 1.002 111 A HN 0.736 nan 8.150 nan 0.000 0.502 112 P HA 0.274 nan 4.420 nan 0.000 0.284 112 P C -0.065 176.904 177.300 -0.552 0.000 1.343 112 P CA -0.045 62.388 63.100 -1.112 0.000 0.826 112 P CB 0.522 31.207 31.700 -1.692 0.000 0.956 113 V N 1.818 121.538 119.914 -0.324 0.000 3.036 113 V HA 0.729 4.851 4.120 0.004 0.000 0.308 113 V C 0.503 176.529 176.094 -0.114 0.000 1.070 113 V CA -1.097 61.086 62.300 -0.196 0.000 1.056 113 V CB 0.418 32.166 31.823 -0.126 0.000 1.084 113 V HN 0.575 nan 8.190 nan 0.000 0.471 114 A N 1.639 124.419 122.820 -0.067 0.000 2.466 114 A HA 0.539 4.861 4.320 0.004 0.000 0.238 114 A C 1.577 179.212 177.584 0.086 0.000 1.074 114 A CA 0.583 52.625 52.037 0.008 0.000 0.774 114 A CB -0.557 18.466 19.000 0.039 0.000 1.015 114 A HN 2.794 nan 8.150 nan 0.000 0.498 115 G N -0.092 108.811 108.800 0.170 0.000 2.268 115 G HA2 0.116 4.078 3.960 0.004 0.000 0.240 115 G HA3 0.116 4.078 3.960 0.004 0.000 0.240 115 G C 0.733 175.771 174.900 0.229 0.000 1.010 115 G CA 0.607 45.904 45.100 0.329 0.000 0.618 115 G HN 2.258 nan 8.290 nan 0.000 0.516 116 A N 0.507 123.401 122.820 0.124 0.000 2.425 116 A HA 0.660 4.982 4.320 0.004 0.000 0.242 116 A C 0.643 178.331 177.584 0.174 0.000 1.077 116 A CA 0.082 52.211 52.037 0.153 0.000 0.781 116 A CB 0.299 19.379 19.000 0.133 0.000 1.020 116 A HN 0.928 nan 8.150 nan 0.000 0.494 117 L N 1.274 122.626 121.223 0.214 0.000 2.367 117 L HA 0.320 4.662 4.340 0.004 0.000 0.275 117 L C -0.310 176.706 176.870 0.244 0.000 1.129 117 L CA -0.278 54.679 54.840 0.195 0.000 0.839 117 L CB 0.958 43.106 42.059 0.148 0.000 1.133 117 L HN 0.666 nan 8.230 nan 0.000 0.453 118 L N 5.695 127.053 121.223 0.225 0.000 2.349 118 L HA 0.562 4.905 4.340 0.004 0.000 0.278 118 L C -0.752 176.262 176.870 0.241 0.000 0.996 118 L CA -0.155 54.826 54.840 0.236 0.000 0.825 118 L CB 1.152 43.330 42.059 0.200 0.000 1.243 118 L HN 0.268 nan 8.230 nan 0.000 0.412 119 I N 4.152 124.809 120.570 0.145 0.000 2.441 119 I HA 0.320 4.492 4.170 0.004 0.000 0.295 119 I C -0.599 175.550 176.117 0.053 0.000 0.994 119 I CA -0.654 60.747 61.300 0.169 0.000 1.144 119 I CB 1.475 39.568 38.000 0.155 0.000 1.314 119 I HN 0.605 nan 8.210 nan 0.000 0.445 120 W N 3.675 124.961 121.300 -0.022 0.000 2.469 120 W HA 0.210 4.872 4.660 0.004 0.000 0.320 120 W C 0.304 176.867 176.519 0.073 0.000 1.086 120 W CA -0.239 57.121 57.345 0.024 0.000 1.211 120 W CB 2.043 31.525 29.460 0.037 0.000 1.298 120 W HN 0.487 nan 8.180 nan 0.000 0.525 121 D N 2.551 123.087 120.400 0.227 0.000 2.371 121 D HA 0.048 4.690 4.640 0.004 0.000 0.242 121 D C 0.109 176.525 176.300 0.195 0.000 1.218 121 D CA 0.116 54.209 54.000 0.155 0.000 0.945 121 D CB 1.031 41.821 40.800 -0.017 0.000 1.137 121 D HN 0.247 nan 8.370 nan 0.000 0.464 122 K N -0.057 120.329 120.400 -0.023 0.000 2.319 122 K HA 0.524 4.847 4.320 0.004 0.000 0.265 122 K C 0.225 176.846 176.600 0.035 0.000 1.000 122 K CA -0.662 55.643 56.287 0.030 0.000 0.943 122 K CB 0.545 32.935 32.500 -0.183 0.000 0.950 122 K HN 0.498 nan 8.250 nan 0.000 0.485 123 G N -0.106 108.746 108.800 0.086 0.000 2.351 123 G HA2 0.364 4.326 3.960 0.004 0.000 0.472 123 G HA3 0.364 4.326 3.960 0.004 0.000 0.472 123 G C 0.211 175.130 174.900 0.032 0.000 1.570 123 G CA -0.098 45.031 45.100 0.047 0.000 0.921 123 G HN 1.079 nan 8.290 nan 0.000 0.674 124 G N 1.302 110.084 108.800 -0.030 0.000 2.629 124 G HA2 -0.194 3.768 3.960 0.004 0.000 0.313 124 G HA3 -0.194 3.768 3.960 0.004 0.000 0.313 124 G C 1.262 176.021 174.900 -0.234 0.000 1.217 124 G CA 1.449 46.489 45.100 -0.099 0.000 0.994 124 G HN 1.984 nan 8.290 nan 0.000 0.549 125 E N 0.428 120.346 120.200 -0.470 0.000 2.171 125 E HA -0.015 4.338 4.350 0.004 0.000 0.197 125 E C 1.695 177.766 176.600 -0.882 0.000 0.997 125 E CA 1.860 57.735 56.400 -0.874 0.000 0.810 125 E CB -0.300 28.376 29.700 -1.707 0.000 0.738 125 E HN 0.487 nan 8.360 nan 0.000 0.467 126 F N -0.079 119.741 119.950 -0.216 0.000 2.983 126 F HA 0.319 4.849 4.527 0.004 0.000 0.307 126 F C 1.350 177.134 175.800 -0.026 0.000 1.218 126 F CA -0.732 57.193 58.000 -0.125 0.000 1.323 126 F CB 0.250 39.194 39.000 -0.092 0.000 0.989 126 F HN -0.171 nan 8.300 nan 0.000 0.509 127 K N 0.845 121.262 120.400 0.029 0.000 2.032 127 K HA -0.315 4.007 4.320 0.004 0.000 0.225 127 K C 1.353 177.996 176.600 0.072 0.000 0.881 127 K CA 2.674 58.979 56.287 0.029 0.000 1.002 127 K CB -0.132 32.368 32.500 0.001 0.000 0.748 127 K HN 0.322 nan 8.250 nan 0.000 0.569 128 D N -2.066 118.395 120.400 0.100 0.000 2.324 128 D HA -0.022 4.620 4.640 0.004 0.000 0.212 128 D C 1.910 178.363 176.300 0.255 0.000 0.984 128 D CA 1.517 55.594 54.000 0.128 0.000 0.885 128 D CB 0.044 40.907 40.800 0.105 0.000 0.996 128 D HN 0.526 nan 8.370 nan 0.000 0.505 129 T N -1.243 113.470 114.554 0.265 0.000 2.904 129 T HA 0.211 4.564 4.350 0.004 0.000 0.267 129 T C 1.390 176.355 174.700 0.443 0.000 1.059 129 T CA 1.053 63.342 62.100 0.315 0.000 1.137 129 T CB 0.051 69.052 68.868 0.223 0.000 0.879 129 T HN 0.293 nan 8.240 nan 0.000 0.467 130 G N 0.932 109.979 108.800 0.410 0.000 2.584 130 G HA2 -0.089 3.873 3.960 0.004 0.000 0.229 130 G HA3 -0.089 3.873 3.960 0.004 0.000 0.229 130 G C -0.454 174.544 174.900 0.163 0.000 1.320 130 G CA -0.045 45.297 45.100 0.402 0.000 0.891 130 G HN 1.051 nan 8.290 nan 0.000 0.573 131 H N -2.156 116.849 119.070 -0.109 0.000 3.003 131 H HA 0.601 5.160 4.556 0.004 0.000 0.327 131 H C -1.704 173.582 175.328 -0.070 0.000 1.353 131 H CA -0.061 55.708 56.048 -0.465 0.000 1.142 131 H CB 2.012 30.690 29.762 -1.806 0.000 1.864 131 H HN 1.258 nan 8.280 nan 0.000 0.529 132 V N 1.756 121.201 119.914 -0.782 0.000 2.888 132 V HA 0.830 4.952 4.120 0.004 0.000 0.309 132 V C -1.390 174.381 176.094 -0.539 0.000 1.114 132 V CA 0.370 62.458 62.300 -0.353 0.000 0.940 132 V CB 1.339 33.099 31.823 -0.105 0.000 1.021 132 V HN 1.014 nan 8.190 nan 0.000 0.426 133 A N 6.126 128.914 122.820 -0.054 0.000 2.552 133 A HA 0.955 5.277 4.320 0.004 0.000 0.288 133 A C -1.780 175.904 177.584 0.167 0.000 1.193 133 A CA -0.686 51.401 52.037 0.084 0.000 0.713 133 A CB 1.836 20.966 19.000 0.217 0.000 1.305 133 A HN 0.688 nan 8.150 nan 0.000 0.424 134 I N 1.041 121.694 120.570 0.138 0.000 2.465 134 I HA 0.359 4.532 4.170 0.004 0.000 0.291 134 I C -0.379 175.735 176.117 -0.004 0.000 1.014 134 I CA -0.537 60.761 61.300 -0.003 0.000 1.093 134 I CB 1.320 39.105 38.000 -0.359 0.000 1.267 134 I HN 0.521 nan 8.210 nan 0.000 0.431 135 I N 5.600 126.174 120.570 0.007 0.000 2.452 135 I HA 0.024 4.196 4.170 0.004 0.000 0.287 135 I C 1.544 177.652 176.117 -0.015 0.000 1.079 135 I CA 0.172 61.468 61.300 -0.007 0.000 1.387 135 I CB 0.985 38.952 38.000 -0.055 0.000 1.404 135 I HN 0.721 nan 8.210 nan 0.000 0.522 136 T N 2.184 116.746 114.554 0.013 0.000 3.039 136 T HA 0.112 4.464 4.350 0.004 0.000 0.250 136 T C 0.431 175.156 174.700 0.042 0.000 1.052 136 T CA 0.074 62.212 62.100 0.063 0.000 1.125 136 T CB 0.239 69.193 68.868 0.143 0.000 0.908 136 T HN 0.686 nan 8.240 nan 0.000 0.473 137 Q N 0.516 120.300 119.800 -0.026 0.000 2.320 137 Q HA 0.678 5.020 4.340 0.004 0.000 0.272 137 Q C -1.990 173.897 176.000 -0.189 0.000 1.023 137 Q CA -1.190 54.548 55.803 -0.108 0.000 0.855 137 Q CB 2.061 30.742 28.738 -0.094 0.000 1.367 137 Q HN 0.208 nan 8.270 nan 0.000 0.406 138 L N 1.901 122.959 121.223 -0.275 0.000 2.322 138 L HA 0.595 4.937 4.340 0.004 0.000 0.279 138 L C -0.931 175.665 176.870 -0.457 0.000 1.036 138 L CA 0.124 54.804 54.840 -0.267 0.000 0.807 138 L CB 1.088 43.011 42.059 -0.225 0.000 1.226 138 L HN 0.779 nan 8.230 nan 0.000 0.433 139 H N 1.952 120.967 119.070 -0.092 0.000 3.436 139 H HA 0.424 4.983 4.556 0.004 0.000 0.312 139 H C 0.457 175.760 175.328 -0.042 0.000 1.675 139 H CA -0.100 55.906 56.048 -0.070 0.000 1.361 139 H CB 1.184 30.891 29.762 -0.091 0.000 1.731 139 H HN 0.688 nan 8.280 nan 0.000 0.732 140 G N -0.323 108.546 108.800 0.116 0.000 2.426 140 G HA2 -0.168 3.794 3.960 0.004 0.000 0.214 140 G HA3 -0.168 3.794 3.960 0.004 0.000 0.214 140 G C 0.462 175.381 174.900 0.032 0.000 1.156 140 G CA 0.511 45.641 45.100 0.051 0.000 0.802 140 G HN 0.648 nan 8.290 nan 0.000 0.534 141 N N -0.818 117.900 118.700 0.030 0.000 2.451 141 N HA 0.249 4.991 4.740 0.004 0.000 0.271 141 N C -0.360 175.140 175.510 -0.017 0.000 1.410 141 N CA -0.550 52.497 53.050 -0.004 0.000 0.884 141 N CB 0.436 38.909 38.487 -0.023 0.000 1.332 141 N HN 0.547 nan 8.380 nan 0.000 0.498 142 K N -1.687 118.716 120.400 0.006 0.000 2.772 142 K HA 0.546 4.868 4.320 0.004 0.000 0.292 142 K C -1.799 174.806 176.600 0.008 0.000 1.049 142 K CA -0.971 55.299 56.287 -0.028 0.000 0.846 142 K CB 1.007 33.444 32.500 -0.105 0.000 1.514 142 K HN 0.012 nan 8.250 nan 0.000 0.373 143 V N -1.911 117.979 119.914 -0.040 0.000 3.078 143 V HA 0.722 4.844 4.120 0.004 0.000 0.311 143 V C -1.103 174.935 176.094 -0.092 0.000 1.138 143 V CA -1.139 61.134 62.300 -0.044 0.000 1.007 143 V CB 1.950 33.707 31.823 -0.110 0.000 1.045 143 V HN 0.862 nan 8.190 nan 0.000 0.432 144 R N 1.796 122.228 120.500 -0.114 0.000 2.604 144 R HA 0.890 5.232 4.340 0.004 0.000 0.287 144 R C -0.579 175.723 176.300 0.004 0.000 0.970 144 R CA -0.461 55.528 56.100 -0.187 0.000 0.946 144 R CB 1.978 31.997 30.300 -0.469 0.000 1.127 144 R HN 0.967 nan 8.270 nan 0.000 0.473 145 I N -1.871 118.767 120.570 0.113 0.000 3.074 145 I HA 0.890 5.062 4.170 0.004 0.000 0.310 145 I C -1.172 175.053 176.117 0.181 0.000 1.153 145 I CA -1.166 60.222 61.300 0.147 0.000 0.993 145 I CB 2.554 40.674 38.000 0.201 0.000 1.237 145 I HN 0.608 nan 8.210 nan 0.000 0.443 146 A N 2.963 125.847 122.820 0.107 0.000 2.413 146 A HA 0.942 5.264 4.320 0.004 0.000 0.307 146 A C -0.860 176.632 177.584 -0.153 0.000 1.087 146 A CA -0.344 51.681 52.037 -0.019 0.000 0.750 146 A CB 1.510 20.542 19.000 0.053 0.000 1.296 146 A HN 0.992 nan 8.150 nan 0.000 0.423 147 E N 0.741 120.639 120.200 -0.503 0.000 2.403 147 E HA 0.365 4.718 4.350 0.004 0.000 0.280 147 E C -1.640 174.662 176.600 -0.497 0.000 1.101 147 E CA -0.775 55.384 56.400 -0.401 0.000 0.856 147 E CB 0.674 30.378 29.700 0.007 0.000 1.303 147 E HN 0.586 nan 8.360 nan 0.000 0.441 148 Q N 0.130 119.796 119.800 -0.222 0.000 2.351 148 Q HA 0.413 4.755 4.340 0.004 0.000 0.273 148 Q C -0.643 175.364 176.000 0.012 0.000 1.077 148 Q CA -0.551 55.171 55.803 -0.135 0.000 0.843 148 Q CB 1.324 30.096 28.738 0.057 0.000 1.367 148 Q HN 0.742 nan 8.270 nan 0.000 0.449 149 N N -0.634 118.014 118.700 -0.087 0.000 2.882 149 N HA -0.181 4.561 4.740 0.004 0.000 0.249 149 N C -0.727 174.783 175.510 0.001 0.000 1.079 149 N CA 0.976 54.039 53.050 0.022 0.000 0.800 149 N CB -0.850 37.754 38.487 0.195 0.000 1.124 149 N HN 0.333 nan 8.380 nan 0.000 0.557 150 V N -1.071 118.741 119.914 -0.170 0.000 3.658 150 V HA 0.358 4.481 4.120 0.004 0.000 0.197 150 V C 0.646 176.680 176.094 -0.101 0.000 1.295 150 V CA 0.091 62.377 62.300 -0.023 0.000 1.298 150 V CB 0.112 31.941 31.823 0.009 0.000 1.347 150 V HN 0.097 nan 8.190 nan 0.000 0.548 151 I N 2.029 122.473 120.570 -0.210 0.000 2.379 151 I HA 0.226 4.398 4.170 0.004 0.000 0.290 151 I C 0.498 176.375 176.117 -0.400 0.000 1.063 151 I CA 0.510 61.694 61.300 -0.192 0.000 1.351 151 I CB -0.052 37.850 38.000 -0.165 0.000 1.410 151 I HN 0.454 nan 8.210 nan 0.000 0.505 152 H N 2.065 121.110 119.070 -0.042 0.000 2.592 152 H HA 0.210 4.768 4.556 0.004 0.000 0.279 152 H C 0.326 175.617 175.328 -0.061 0.000 1.089 152 H CA -0.177 55.840 56.048 -0.051 0.000 1.150 152 H CB 0.426 30.175 29.762 -0.021 0.000 1.575 152 H HN 0.515 nan 8.280 nan 0.000 0.547 153 S N 0.012 115.706 115.700 -0.010 0.000 2.578 153 S HA 0.498 4.971 4.470 0.004 0.000 0.301 153 S C -2.823 171.722 174.600 -0.092 0.000 1.091 153 S CA -1.981 56.199 58.200 -0.032 0.000 1.032 153 S CB 2.268 65.457 63.200 -0.019 0.000 1.064 153 S HN -0.124 nan 8.310 nan 0.000 0.508 154 P HA 0.157 nan 4.420 nan 0.000 0.265 154 P C -0.652 176.563 177.300 -0.141 0.000 1.193 154 P CA -0.037 62.987 63.100 -0.125 0.000 0.765 154 P CB 0.252 31.894 31.700 -0.096 0.000 0.823 155 L N 5.135 126.249 121.223 -0.182 0.000 2.439 155 L HA 0.361 4.703 4.340 0.004 0.000 0.261 155 L C -1.741 175.019 176.870 -0.184 0.000 1.153 155 L CA -2.145 52.568 54.840 -0.213 0.000 0.808 155 L CB -0.270 41.622 42.059 -0.278 0.000 1.126 155 L HN 0.228 nan 8.230 nan 0.000 0.460 156 P HA -0.010 nan 4.420 nan 0.000 0.267 156 P C -1.032 176.185 177.300 -0.139 0.000 1.201 156 P CA -0.146 62.861 63.100 -0.155 0.000 0.775 156 P CB 0.285 31.879 31.700 -0.178 0.000 0.854 157 Q N 1.149 120.896 119.800 -0.089 0.000 2.247 157 Q HA 0.234 4.577 4.340 0.004 0.000 0.288 157 Q C 1.344 177.308 176.000 -0.060 0.000 1.079 157 Q CA 0.922 56.688 55.803 -0.061 0.000 0.932 157 Q CB -0.287 28.428 28.738 -0.038 0.000 1.133 157 Q HN 0.852 nan 8.270 nan 0.000 0.377 158 G N 2.375 111.149 108.800 -0.043 0.000 2.184 158 G HA2 -0.364 3.599 3.960 0.004 0.000 0.264 158 G HA3 -0.364 3.599 3.960 0.004 0.000 0.264 158 G C 0.166 175.031 174.900 -0.059 0.000 0.975 158 G CA 0.425 45.507 45.100 -0.029 0.000 0.642 158 G HN 0.617 nan 8.290 nan 0.000 0.536 159 Q N 0.497 120.203 119.800 -0.157 0.000 2.293 159 Q HA 0.434 4.777 4.340 0.004 0.000 0.263 159 Q C 0.589 176.408 176.000 -0.302 0.000 1.002 159 Q CA -0.123 55.484 55.803 -0.326 0.000 0.910 159 Q CB 0.221 28.591 28.738 -0.613 0.000 1.185 159 Q HN 0.582 nan 8.270 nan 0.000 0.401 160 Q N 5.795 125.501 119.800 -0.157 0.000 2.341 160 Q HA 0.204 4.546 4.340 0.004 0.000 0.325 160 Q C -1.175 174.919 176.000 0.156 0.000 0.920 160 Q CA -0.232 55.589 55.803 0.030 0.000 1.065 160 Q CB 0.363 29.197 28.738 0.160 0.000 1.218 160 Q HN 0.527 nan 8.270 nan 0.000 0.434 161 W N -1.165 120.146 121.300 0.019 0.000 3.213 161 W HA 0.291 4.953 4.660 0.004 0.000 0.318 161 W C 0.065 176.560 176.519 -0.039 0.000 1.248 161 W CA -0.823 56.522 57.345 -0.001 0.000 1.187 161 W CB 0.489 29.964 29.460 0.025 0.000 1.403 161 W HN -0.030 nan 8.180 nan 0.000 0.556 162 T N -1.351 113.317 114.554 0.190 0.000 3.040 162 T HA 0.327 4.680 4.350 0.004 0.000 0.252 162 T C 0.528 175.379 174.700 0.253 0.000 1.064 162 T CA 0.335 62.467 62.100 0.053 0.000 1.110 162 T CB 0.714 69.560 68.868 -0.037 0.000 0.921 162 T HN 0.427 nan 8.240 nan 0.000 0.480 163 R N 0.199 120.960 120.500 0.436 0.000 2.710 163 R HA 0.566 4.908 4.340 0.004 0.000 0.270 163 R C -1.553 174.873 176.300 0.210 0.000 1.021 163 R CA -0.728 55.572 56.100 0.334 0.000 0.889 163 R CB 2.113 32.522 30.300 0.181 0.000 1.243 163 R HN 0.291 nan 8.270 nan 0.000 0.464 164 E N 2.043 122.266 120.200 0.039 0.000 2.256 164 E HA 0.520 4.873 4.350 0.004 0.000 0.267 164 E C -0.958 175.620 176.600 -0.036 0.000 0.892 164 E CA -0.776 55.538 56.400 -0.144 0.000 0.775 164 E CB 2.411 31.919 29.700 -0.321 0.000 1.207 164 E HN 0.228 nan 8.360 nan 0.000 0.420 165 L N 1.336 122.544 121.223 -0.025 0.000 2.386 165 L HA 0.396 4.739 4.340 0.004 0.000 0.271 165 L C 0.044 176.903 176.870 -0.019 0.000 0.993 165 L CA -0.946 53.904 54.840 0.018 0.000 0.819 165 L CB 1.887 43.999 42.059 0.087 0.000 1.294 165 L HN 0.584 nan 8.230 nan 0.000 0.414 166 E N 3.727 123.919 120.200 -0.013 0.000 2.392 166 E HA 0.226 4.578 4.350 0.004 0.000 0.264 166 E C -1.087 175.507 176.600 -0.009 0.000 1.024 166 E CA -0.241 56.147 56.400 -0.021 0.000 0.903 166 E CB 1.143 30.834 29.700 -0.015 0.000 0.963 166 E HN 0.554 nan 8.360 nan 0.000 0.432 167 M N 5.097 124.689 119.600 -0.014 0.000 2.259 167 M HA 0.305 4.787 4.480 0.004 0.000 0.304 167 M C -1.851 174.447 176.300 -0.004 0.000 1.019 167 M CA -0.855 54.444 55.300 -0.002 0.000 0.922 167 M CB 1.708 34.304 32.600 -0.006 0.000 1.600 167 M HN 0.315 nan 8.290 nan 0.000 0.433 168 V N 5.364 125.278 119.914 -0.001 0.000 2.427 168 V HA 0.469 4.591 4.120 0.004 0.000 0.286 168 V C -0.546 175.504 176.094 -0.073 0.000 1.034 168 V CA -0.639 61.644 62.300 -0.029 0.000 0.893 168 V CB 1.632 33.446 31.823 -0.015 0.000 0.982 168 V HN 0.666 nan 8.190 nan 0.000 0.452 169 V N 4.914 124.750 119.914 -0.129 0.000 2.325 169 V HA 0.480 4.602 4.120 0.004 0.000 0.280 169 V C -0.423 175.547 176.094 -0.207 0.000 1.016 169 V CA -0.486 61.651 62.300 -0.271 0.000 0.818 169 V CB 1.319 32.937 31.823 -0.342 0.000 1.019 169 V HN 0.833 nan 8.190 nan 0.000 0.434 170 E N 3.427 123.516 120.200 -0.185 0.000 2.191 170 E HA 0.387 4.739 4.350 0.004 0.000 0.263 170 E C -0.144 176.379 176.600 -0.128 0.000 0.881 170 E CA -0.727 55.599 56.400 -0.125 0.000 0.757 170 E CB 1.489 31.143 29.700 -0.077 0.000 1.147 170 E HN 0.721 nan 8.360 nan 0.000 0.414 171 N N 1.849 120.484 118.700 -0.108 0.000 2.714 171 N HA -0.249 4.493 4.740 0.004 0.000 0.253 171 N C 0.798 176.244 175.510 -0.106 0.000 1.024 171 N CA 0.848 53.847 53.050 -0.085 0.000 0.726 171 N CB -1.138 37.316 38.487 -0.055 0.000 0.908 171 N HN 0.947 nan 8.380 nan 0.000 0.542 172 G N -2.141 106.564 108.800 -0.159 0.000 2.196 172 G HA2 -0.402 3.561 3.960 0.004 0.000 0.268 172 G HA3 -0.402 3.561 3.960 0.004 0.000 0.268 172 G C 0.432 175.198 174.900 -0.223 0.000 0.975 172 G CA 0.532 45.528 45.100 -0.173 0.000 0.648 172 G HN 0.684 nan 8.290 nan 0.000 0.538 173 C N 0.352 119.516 119.300 -0.228 0.000 2.350 173 C HA 0.711 5.173 4.460 0.004 0.000 0.348 173 C C 0.007 174.877 174.990 -0.200 0.000 1.260 173 C CA -0.926 58.020 59.018 -0.119 0.000 1.966 173 C CB 0.007 27.715 27.740 -0.052 0.000 2.380 173 C HN 0.319 nan 8.230 nan 0.000 0.535 174 Y N 1.630 121.964 120.300 0.057 0.000 2.331 174 Y HA 0.497 5.050 4.550 0.004 0.000 0.338 174 Y C 0.714 176.735 175.900 0.203 0.000 0.992 174 Y CA -0.259 57.899 58.100 0.096 0.000 1.121 174 Y CB 1.421 39.931 38.460 0.083 0.000 1.184 174 Y HN 0.539 nan 8.280 nan 0.000 0.469 175 T N 4.885 119.579 114.554 0.233 0.000 2.881 175 T HA 0.585 4.937 4.350 0.004 0.000 0.290 175 T C -0.652 174.133 174.700 0.141 0.000 1.000 175 T CA -0.742 61.485 62.100 0.212 0.000 0.978 175 T CB 0.946 69.877 68.868 0.105 0.000 0.997 175 T HN 0.366 nan 8.240 nan 0.000 0.443 176 L N 2.519 123.837 121.223 0.158 0.000 2.331 176 L HA 0.638 4.981 4.340 0.004 0.000 0.275 176 L C 0.156 177.061 176.870 0.059 0.000 1.022 176 L CA -0.900 53.981 54.840 0.069 0.000 0.812 176 L CB 1.565 43.646 42.059 0.036 0.000 1.257 176 L HN 0.346 nan 8.230 nan 0.000 0.435 177 K N 1.712 122.143 120.400 0.051 0.000 2.345 177 K HA 0.258 4.580 4.320 0.004 0.000 0.255 177 K C -1.245 175.417 176.600 0.104 0.000 0.934 177 K CA -0.707 55.619 56.287 0.066 0.000 0.801 177 K CB 1.952 34.481 32.500 0.048 0.000 1.137 177 K HN 0.477 nan 8.250 nan 0.000 0.424 178 D N 0.943 121.445 120.400 0.171 0.000 2.360 178 D HA 0.000 4.642 4.640 0.004 0.000 0.242 178 D C 1.035 177.429 176.300 0.157 0.000 1.184 178 D CA 0.149 54.324 54.000 0.291 0.000 0.930 178 D CB 1.407 42.529 40.800 0.536 0.000 1.161 178 D HN 0.627 nan 8.370 nan 0.000 0.447 179 T N -1.299 113.290 114.554 0.059 0.000 3.113 179 T HA 0.131 4.483 4.350 0.004 0.000 0.256 179 T C 0.736 175.260 174.700 -0.294 0.000 1.131 179 T CA 0.160 62.150 62.100 -0.183 0.000 1.074 179 T CB -0.367 68.280 68.868 -0.368 0.000 0.944 179 T HN 0.184 nan 8.240 nan 0.000 0.516 180 F N 2.509 122.526 119.950 0.112 0.000 2.432 180 F HA 0.421 4.951 4.527 0.004 0.000 0.329 180 F C 1.217 177.051 175.800 0.057 0.000 1.076 180 F CA -1.403 56.623 58.000 0.043 0.000 1.018 180 F CB 1.354 40.337 39.000 -0.028 0.000 1.201 180 F HN -0.002 nan 8.300 nan 0.000 0.489 181 D N -0.812 119.719 120.400 0.217 0.000 2.349 181 D HA -0.059 4.583 4.640 0.004 0.000 0.215 181 D C 0.358 176.722 176.300 0.106 0.000 1.016 181 D CA 0.439 54.516 54.000 0.127 0.000 0.870 181 D CB -0.326 40.521 40.800 0.080 0.000 0.917 181 D HN 0.555 nan 8.370 nan 0.000 0.524 182 D N -0.498 119.968 120.400 0.110 0.000 2.620 182 D HA 0.048 4.691 4.640 0.004 0.000 0.260 182 D C -0.031 176.312 176.300 0.072 0.000 1.367 182 D CA -0.323 53.714 54.000 0.060 0.000 0.805 182 D CB -0.522 40.285 40.800 0.010 0.000 1.096 182 D HN 0.097 nan 8.370 nan 0.000 0.488 183 T N -2.646 112.003 114.554 0.158 0.000 2.952 183 T HA 0.695 5.048 4.350 0.004 0.000 0.286 183 T C -0.047 174.809 174.700 0.260 0.000 1.024 183 T CA -0.506 61.751 62.100 0.260 0.000 1.029 183 T CB 1.889 71.044 68.868 0.478 0.000 1.094 183 T HN -0.093 nan 8.240 nan 0.000 0.515 184 T N 1.809 116.539 114.554 0.293 0.000 2.864 184 T HA 0.447 4.800 4.350 0.004 0.000 0.299 184 T C -0.078 174.634 174.700 0.021 0.000 1.011 184 T CA -0.513 61.661 62.100 0.124 0.000 0.975 184 T CB 0.300 69.203 68.868 0.059 0.000 0.962 184 T HN 0.577 nan 8.240 nan 0.000 0.448 185 I N 4.457 124.916 120.570 -0.185 0.000 2.379 185 I HA 0.149 4.322 4.170 0.004 0.000 0.290 185 I C 1.376 177.260 176.117 -0.387 0.000 1.063 185 I CA -0.262 60.741 61.300 -0.496 0.000 1.351 185 I CB 0.937 38.629 38.000 -0.514 0.000 1.410 185 I HN 0.621 nan 8.210 nan 0.000 0.505 186 L N 6.145 127.070 121.223 -0.498 0.000 2.027 186 L HA 0.106 4.448 4.340 0.004 0.000 0.206 186 L C 1.224 177.584 176.870 -0.850 0.000 1.074 186 L CA 0.990 55.355 54.840 -0.791 0.000 0.745 186 L CB -0.442 40.820 42.059 -1.327 0.000 0.898 186 L HN 0.879 nan 8.230 nan 0.000 0.433 187 G N -2.220 106.198 108.800 -0.637 0.000 2.351 187 G HA2 0.115 4.078 3.960 0.004 0.000 0.279 187 G HA3 0.115 4.078 3.960 0.004 0.000 0.279 187 G C -2.312 172.682 174.900 0.157 0.000 1.297 187 G CA -0.426 44.468 45.100 -0.344 0.000 0.886 187 G HN 0.165 nan 8.290 nan 0.000 0.493 188 W N -1.192 120.294 121.300 0.310 0.000 2.850 188 W HA 0.873 5.535 4.660 0.004 0.000 0.349 188 W C -0.309 176.428 176.519 0.364 0.000 1.133 188 W CA -1.320 56.186 57.345 0.269 0.000 1.117 188 W CB 1.321 30.868 29.460 0.146 0.000 1.442 188 W HN 0.490 nan 8.180 nan 0.000 0.575 189 M N 2.481 122.378 119.600 0.496 0.000 2.326 189 M HA 0.544 5.026 4.480 0.004 0.000 0.306 189 M C -1.138 175.367 176.300 0.341 0.000 1.054 189 M CA -0.704 54.783 55.300 0.313 0.000 0.922 189 M CB 2.212 34.893 32.600 0.134 0.000 1.632 189 M HN 0.389 nan 8.290 nan 0.000 0.436 190 I N 1.870 122.667 120.570 0.378 0.000 2.545 190 I HA 0.273 4.445 4.170 0.004 0.000 0.292 190 I C -0.158 176.076 176.117 0.196 0.000 1.040 190 I CA -0.884 60.600 61.300 0.307 0.000 1.068 190 I CB 2.151 40.373 38.000 0.371 0.000 1.251 190 I HN 0.612 nan 8.210 nan 0.000 0.424 191 Q N 5.059 124.934 119.800 0.126 0.000 2.452 191 Q HA 0.236 4.579 4.340 0.004 0.000 0.230 191 Q C -0.879 175.166 176.000 0.076 0.000 1.180 191 Q CA 0.446 56.303 55.803 0.090 0.000 0.914 191 Q CB 0.522 29.296 28.738 0.060 0.000 1.408 191 Q HN 0.810 nan 8.270 nan 0.000 0.520 192 T N 1.453 116.062 114.554 0.092 0.000 2.885 192 T HA 0.249 4.602 4.350 0.004 0.000 0.322 192 T C 0.176 174.916 174.700 0.066 0.000 1.387 192 T CA -0.425 61.723 62.100 0.080 0.000 1.041 192 T CB 1.199 70.134 68.868 0.112 0.000 1.287 192 T HN 0.560 nan 8.240 nan 0.000 0.491 193 E N 0.846 121.073 120.200 0.045 0.000 2.371 193 E HA 0.019 4.371 4.350 0.004 0.000 0.194 193 E C -0.201 176.417 176.600 0.029 0.000 1.012 193 E CA 0.076 56.493 56.400 0.029 0.000 0.860 193 E CB 0.229 29.938 29.700 0.015 0.000 0.811 193 E HN 0.483 nan 8.360 nan 0.000 0.502 194 D N 0.824 121.254 120.400 0.049 0.000 2.346 194 D HA -0.037 4.606 4.640 0.004 0.000 0.260 194 D C 0.856 177.204 176.300 0.079 0.000 1.252 194 D CA 0.226 54.255 54.000 0.048 0.000 0.895 194 D CB 1.012 41.843 40.800 0.052 0.000 1.097 194 D HN 0.016 nan 8.370 nan 0.000 0.489 195 T N 0.562 115.129 114.554 0.023 0.000 3.088 195 T HA -0.020 4.332 4.350 0.004 0.000 0.259 195 T C 0.899 175.609 174.700 0.016 0.000 1.122 195 T CA -0.279 61.823 62.100 0.003 0.000 1.095 195 T CB -0.107 68.739 68.868 -0.036 0.000 0.930 195 T HN 0.478 nan 8.240 nan 0.000 0.508 196 E N 0.876 121.057 120.200 -0.031 0.000 2.529 196 E HA -0.066 4.287 4.350 0.004 0.000 0.259 196 E C -0.454 176.125 176.600 -0.035 0.000 0.966 196 E CA -0.019 56.264 56.400 -0.196 0.000 0.937 196 E CB -0.115 29.320 29.700 -0.442 0.000 0.923 196 E HN 0.633 nan 8.360 nan 0.000 0.468 197 Y N 0.244 120.645 120.300 0.168 0.000 4.897 197 Y HA -0.372 4.181 4.550 0.004 0.000 0.263 197 Y C 0.851 176.898 175.900 0.244 0.000 0.945 197 Y CA 0.396 58.628 58.100 0.220 0.000 1.858 197 Y CB -2.047 36.569 38.460 0.260 0.000 1.296 197 Y HN 0.592 nan 8.280 nan 0.000 0.490 198 S N 1.389 117.220 115.700 0.218 0.000 2.593 198 S HA 0.552 5.024 4.470 0.004 0.000 0.269 198 S C 0.002 174.492 174.600 -0.183 0.000 1.334 198 S CA -0.892 57.161 58.200 -0.244 0.000 1.015 198 S CB 1.312 64.266 63.200 -0.410 0.000 0.912 198 S HN 0.293 nan 8.310 nan 0.000 0.541 199 L N 2.420 123.457 121.223 -0.310 0.000 2.350 199 L HA 0.445 4.788 4.340 0.004 0.000 0.275 199 L C -1.704 175.040 176.870 -0.209 0.000 1.099 199 L CA -2.109 52.604 54.840 -0.210 0.000 0.808 199 L CB 0.644 42.558 42.059 -0.243 0.000 1.149 199 L HN 0.605 nan 8.230 nan 0.000 0.442 200 P HA 0.024 nan 4.420 nan 0.000 0.274 200 P C -1.079 176.132 177.300 -0.150 0.000 1.237 200 P CA -0.630 62.393 63.100 -0.129 0.000 0.793 200 P CB 0.741 32.390 31.700 -0.085 0.000 0.977 201 Q N 2.455 122.163 119.800 -0.153 0.000 2.263 201 Q HA 0.110 4.453 4.340 0.004 0.000 0.289 201 Q C -1.942 173.985 176.000 -0.121 0.000 1.061 201 Q CA -1.035 54.671 55.803 -0.161 0.000 0.927 201 Q CB -0.490 28.144 28.738 -0.173 0.000 1.154 201 Q HN 0.275 nan 8.270 nan 0.000 0.378 202 P HA -0.056 nan 4.420 nan 0.000 0.264 202 P C -1.374 175.901 177.300 -0.042 0.000 1.193 202 P CA 0.258 63.332 63.100 -0.045 0.000 0.763 202 P CB 0.579 32.279 31.700 -0.000 0.000 0.810 203 E N 3.243 123.427 120.200 -0.027 0.000 2.171 203 E HA 0.384 4.736 4.350 0.004 0.000 0.271 203 E C -0.798 175.807 176.600 0.009 0.000 0.916 203 E CA -0.954 55.434 56.400 -0.020 0.000 0.774 203 E CB 1.028 30.712 29.700 -0.026 0.000 1.128 203 E HN 0.387 nan 8.360 nan 0.000 0.403 204 I N 3.295 123.880 120.570 0.024 0.000 2.519 204 I HA 0.372 4.544 4.170 0.004 0.000 0.287 204 I C -0.094 176.043 176.117 0.034 0.000 1.047 204 I CA -0.421 60.900 61.300 0.035 0.000 1.381 204 I CB 0.896 38.923 38.000 0.045 0.000 1.417 204 I HN 0.737 nan 8.210 nan 0.000 0.540 205 A N 5.621 128.459 122.820 0.031 0.000 2.545 205 A HA 0.236 4.558 4.320 0.004 0.000 0.253 205 A C 1.399 179.003 177.584 0.034 0.000 1.074 205 A CA 0.483 52.538 52.037 0.029 0.000 0.760 205 A CB 0.001 19.015 19.000 0.024 0.000 1.005 205 A HN 1.112 nan 8.150 nan 0.000 0.506 206 G N 1.292 110.115 108.800 0.039 0.000 2.556 206 G HA2 -0.283 3.679 3.960 0.004 0.000 0.220 206 G HA3 -0.283 3.679 3.960 0.004 0.000 0.220 206 G C 1.228 176.151 174.900 0.037 0.000 1.156 206 G CA 1.114 46.242 45.100 0.046 0.000 0.766 206 G HN 0.780 nan 8.290 nan 0.000 0.583 207 E N 0.157 120.375 120.200 0.030 0.000 2.219 207 E HA -0.061 4.291 4.350 0.004 0.000 0.198 207 E C 2.509 179.123 176.600 0.025 0.000 0.998 207 E CA 0.519 56.934 56.400 0.025 0.000 0.818 207 E CB -0.205 29.507 29.700 0.020 0.000 0.741 207 E HN 0.500 nan 8.360 nan 0.000 0.477 208 L N 0.032 121.271 121.223 0.026 0.000 2.599 208 L HA 0.007 4.350 4.340 0.004 0.000 0.230 208 L C 1.896 178.778 176.870 0.021 0.000 1.141 208 L CA 0.109 54.963 54.840 0.024 0.000 0.877 208 L CB 0.016 42.091 42.059 0.027 0.000 1.009 208 L HN 0.050 nan 8.230 nan 0.000 0.447 209 L N -0.918 120.318 121.223 0.023 0.000 2.616 209 L HA 0.107 4.450 4.340 0.004 0.000 0.229 209 L C 0.708 177.589 176.870 0.019 0.000 1.110 209 L CA 0.004 54.853 54.840 0.016 0.000 0.884 209 L CB 0.008 42.082 42.059 0.025 0.000 1.115 209 L HN 0.098 nan 8.230 nan 0.000 0.481 210 K N 1.525 121.940 120.400 0.025 0.000 2.401 210 K HA 0.249 4.572 4.320 0.004 0.000 0.278 210 K C -0.185 176.432 176.600 0.029 0.000 1.018 210 K CA 0.036 56.340 56.287 0.029 0.000 0.981 210 K CB 1.110 33.627 32.500 0.028 0.000 0.933 210 K HN 0.047 nan 8.250 nan 0.000 0.477 211 I N 1.900 122.493 120.570 0.038 0.000 2.428 211 I HA 0.046 4.218 4.170 0.004 0.000 0.289 211 I C 0.076 176.253 176.117 0.100 0.000 1.019 211 I CA -0.007 61.328 61.300 0.059 0.000 1.351 211 I CB 1.513 39.532 38.000 0.032 0.000 1.412 211 I HN 0.481 nan 8.210 nan 0.000 0.513 212 S N 3.425 119.185 115.700 0.100 0.000 2.500 212 S HA 0.574 5.047 4.470 0.004 0.000 0.301 212 S C 0.187 174.770 174.600 -0.029 0.000 1.092 212 S CA -0.723 57.504 58.200 0.045 0.000 1.030 212 S CB 1.882 65.070 63.200 -0.019 0.000 1.031 212 S HN 0.807 nan 8.310 nan 0.000 0.483 213 G N 1.058 109.786 108.800 -0.120 0.000 2.572 213 G HA2 0.667 4.629 3.960 0.004 0.000 0.261 213 G HA3 0.667 4.629 3.960 0.004 0.000 0.261 213 G C -0.494 174.075 174.900 -0.550 0.000 1.197 213 G CA -0.195 44.620 45.100 -0.476 0.000 0.870 213 G HN 1.007 nan 8.290 nan 0.000 0.548 214 A N 0.594 122.865 122.820 -0.915 0.000 2.586 214 A HA 0.868 5.190 4.320 0.004 0.000 0.290 214 A C -0.670 176.486 177.584 -0.713 0.000 1.086 214 A CA -0.814 50.735 52.037 -0.813 0.000 0.665 214 A CB 1.509 19.783 19.000 -1.210 0.000 1.279 214 A HN 0.672 nan 8.150 nan 0.000 0.423 215 R N 0.569 120.935 120.500 -0.223 0.000 2.533 215 R HA 0.491 4.834 4.340 0.004 0.000 0.288 215 R C -1.037 175.454 176.300 0.317 0.000 1.039 215 R CA -0.680 55.482 56.100 0.104 0.000 0.909 215 R CB 1.694 32.051 30.300 0.096 0.000 1.195 215 R HN 0.692 nan 8.270 nan 0.000 0.438 216 L N 1.754 123.254 121.223 0.462 0.000 2.474 216 L HA 0.164 4.506 4.340 0.004 0.000 0.259 216 L C 0.805 177.834 176.870 0.264 0.000 1.232 216 L CA 0.081 55.136 54.840 0.357 0.000 0.821 216 L CB 0.280 42.535 42.059 0.327 0.000 1.108 216 L HN 0.395 nan 8.230 nan 0.000 0.495 217 E N 1.107 121.404 120.200 0.162 0.000 2.313 217 E HA 0.053 4.405 4.350 0.004 0.000 0.276 217 E C -0.493 176.175 176.600 0.113 0.000 1.031 217 E CA -0.472 55.983 56.400 0.091 0.000 0.857 217 E CB 0.825 30.543 29.700 0.030 0.000 1.040 217 E HN 0.307 nan 8.360 nan 0.000 0.408 218 N N 2.975 121.662 118.700 -0.022 0.000 2.415 218 N HA -0.004 4.738 4.740 0.004 0.000 0.250 218 N C -0.325 175.130 175.510 -0.092 0.000 1.127 218 N CA 0.106 53.031 53.050 -0.208 0.000 0.945 218 N CB 0.405 38.581 38.487 -0.518 0.000 1.196 218 N HN 0.235 nan 8.380 nan 0.000 0.499 219 K N 1.612 122.020 120.400 0.014 0.000 2.478 219 K HA 0.193 4.515 4.320 0.004 0.000 0.205 219 K C 0.453 177.056 176.600 0.007 0.000 1.033 219 K CA -0.191 56.089 56.287 -0.012 0.000 1.091 219 K CB 0.165 32.648 32.500 -0.027 0.000 0.844 219 K HN 0.747 nan 8.250 nan 0.000 0.507 220 G N 2.227 111.064 108.800 0.061 0.000 2.176 220 G HA2 -0.323 3.639 3.960 0.004 0.000 0.252 220 G HA3 -0.323 3.639 3.960 0.004 0.000 0.252 220 G C 0.624 175.572 174.900 0.080 0.000 1.024 220 G CA 0.658 45.830 45.100 0.120 0.000 0.755 220 G HN 0.343 nan 8.290 nan 0.000 0.507 221 Q N -0.989 118.792 119.800 -0.032 0.000 2.291 221 Q HA 0.168 4.510 4.340 0.004 0.000 0.206 221 Q C 1.528 177.050 176.000 -0.797 0.000 0.976 221 Q CA 1.404 56.901 55.803 -0.510 0.000 0.875 221 Q CB -0.086 28.109 28.738 -0.905 0.000 0.927 221 Q HN 0.722 nan 8.270 nan 0.000 0.450 222 F N -0.350 119.536 119.950 -0.106 0.000 2.791 222 F HA 0.236 4.765 4.527 0.004 0.000 0.308 222 F C 0.691 176.577 175.800 0.144 0.000 1.138 222 F CA -0.564 57.313 58.000 -0.205 0.000 1.294 222 F CB 0.623 39.220 39.000 -0.671 0.000 0.975 222 F HN -0.085 nan 8.300 nan 0.000 0.512 223 D N 0.636 121.195 120.400 0.266 0.000 2.097 223 D HA -0.039 4.603 4.640 0.004 0.000 0.197 223 D C 1.862 178.308 176.300 0.243 0.000 0.984 223 D CA 1.411 55.557 54.000 0.244 0.000 0.826 223 D CB -0.102 40.794 40.800 0.160 0.000 0.973 223 D HN 0.368 nan 8.370 nan 0.000 0.460 224 G N -0.419 108.523 108.800 0.236 0.000 3.410 224 G HA2 0.212 4.175 3.960 0.004 0.000 0.189 224 G HA3 0.212 4.175 3.960 0.004 0.000 0.189 224 G C -0.471 174.569 174.900 0.233 0.000 1.404 224 G CA -0.504 44.715 45.100 0.199 0.000 0.898 224 G HN -0.073 nan 8.290 nan 0.000 0.650 225 K N 2.431 122.911 120.400 0.133 0.000 2.155 225 K HA 0.099 4.421 4.320 0.004 0.000 0.240 225 K C 1.112 177.756 176.600 0.073 0.000 1.193 225 K CA -0.389 55.926 56.287 0.046 0.000 1.104 225 K CB 0.132 32.638 32.500 0.010 0.000 1.558 225 K HN 0.654 nan 8.250 nan 0.000 0.313 226 W N 2.743 124.102 121.300 0.098 0.000 2.518 226 W HA 0.027 4.689 4.660 0.004 0.000 0.273 226 W C -0.200 176.374 176.519 0.093 0.000 1.247 226 W CA -0.237 57.164 57.345 0.093 0.000 1.288 226 W CB -0.400 29.167 29.460 0.178 0.000 1.107 226 W HN 0.121 nan 8.180 nan 0.000 0.586 227 L N 2.723 123.600 121.223 -0.577 0.000 2.371 227 L HA 0.088 4.430 4.340 0.004 0.000 0.272 227 L C 0.419 177.184 176.870 -0.175 0.000 1.124 227 L CA -0.259 54.311 54.840 -0.450 0.000 0.816 227 L CB 0.272 41.946 42.059 -0.641 0.000 1.129 227 L HN -0.286 nan 8.230 nan 0.000 0.448 228 D N 2.482 122.832 120.400 -0.084 0.000 2.342 228 D HA -0.026 4.616 4.640 0.004 0.000 0.260 228 D C 0.807 177.081 176.300 -0.044 0.000 1.278 228 D CA 0.378 54.356 54.000 -0.036 0.000 0.910 228 D CB 0.776 41.571 40.800 -0.007 0.000 1.079 228 D HN 0.482 nan 8.370 nan 0.000 0.496 229 E N 2.244 122.421 120.200 -0.038 0.000 2.482 229 E HA -0.086 4.267 4.350 0.004 0.000 0.196 229 E C 1.301 177.894 176.600 -0.012 0.000 1.047 229 E CA 0.292 56.674 56.400 -0.029 0.000 0.869 229 E CB 0.449 30.132 29.700 -0.028 0.000 0.836 229 E HN 0.261 nan 8.360 nan 0.000 0.520 230 K N 0.826 121.221 120.400 -0.008 0.000 2.062 230 K HA -0.077 4.245 4.320 0.004 0.000 0.205 230 K C 0.633 177.234 176.600 0.002 0.000 1.051 230 K CA 0.571 56.857 56.287 -0.002 0.000 0.941 230 K CB -0.431 32.069 32.500 0.000 0.000 0.719 230 K HN 0.060 nan 8.250 nan 0.000 0.440 231 D N 1.861 122.262 120.400 0.001 0.000 2.363 231 D HA 0.018 4.660 4.640 0.004 0.000 0.263 231 D C -1.829 174.480 176.300 0.015 0.000 1.258 231 D CA -2.001 52.004 54.000 0.008 0.000 0.907 231 D CB 1.247 42.052 40.800 0.009 0.000 1.107 231 D HN -0.152 nan 8.370 nan 0.000 0.495 232 P HA -0.179 nan 4.420 nan 0.000 0.216 232 P C 1.790 179.122 177.300 0.053 0.000 1.154 232 P CA 0.851 63.970 63.100 0.031 0.000 0.865 232 P CB 0.228 31.945 31.700 0.028 0.000 0.789 233 L N -1.065 120.196 121.223 0.063 0.000 2.012 233 L HA -0.254 4.088 4.340 0.004 0.000 0.210 233 L C 2.631 179.559 176.870 0.097 0.000 1.073 233 L CA 1.742 56.646 54.840 0.108 0.000 0.748 233 L CB -0.646 41.487 42.059 0.124 0.000 0.891 233 L HN 0.014 nan 8.230 nan 0.000 0.431 234 Q N -0.871 118.953 119.800 0.041 0.000 2.119 234 Q HA -0.237 4.105 4.340 0.004 0.000 0.201 234 Q C 1.881 177.897 176.000 0.027 0.000 0.972 234 Q CA 1.765 57.565 55.803 -0.003 0.000 0.847 234 Q CB -0.084 28.622 28.738 -0.054 0.000 0.903 234 Q HN 0.430 nan 8.270 nan 0.000 0.433 235 N N 0.249 118.963 118.700 0.024 0.000 2.216 235 N HA -0.106 4.637 4.740 0.004 0.000 0.183 235 N C 1.488 177.022 175.510 0.040 0.000 1.017 235 N CA 1.238 54.298 53.050 0.017 0.000 0.861 235 N CB -0.084 38.409 38.487 0.010 0.000 0.986 235 N HN 0.229 nan 8.380 nan 0.000 0.428 236 A N -0.581 122.287 122.820 0.080 0.000 1.933 236 A HA -0.172 4.151 4.320 0.004 0.000 0.218 236 A C 2.152 179.811 177.584 0.124 0.000 1.175 236 A CA 1.319 53.430 52.037 0.123 0.000 0.628 236 A CB -1.178 17.938 19.000 0.193 0.000 0.814 236 A HN 0.586 nan 8.150 nan 0.000 0.444 237 Y N 0.406 120.653 120.300 -0.088 0.000 2.200 237 Y HA -0.147 4.406 4.550 0.004 0.000 0.290 237 Y C 2.292 178.056 175.900 -0.227 0.000 1.137 237 Y CA 1.893 59.771 58.100 -0.370 0.000 1.163 237 Y CB -0.188 37.962 38.460 -0.517 0.000 0.988 237 Y HN 0.064 nan 8.280 nan 0.000 0.518 238 V N 0.655 120.531 119.914 -0.064 0.000 2.407 238 V HA -0.291 3.832 4.120 0.004 0.000 0.248 238 V C 2.266 178.285 176.094 -0.124 0.000 1.055 238 V CA 1.932 64.164 62.300 -0.113 0.000 1.049 238 V CB -0.626 31.162 31.823 -0.059 0.000 0.662 238 V HN 0.429 nan 8.190 nan 0.000 0.455 239 Q N -0.140 119.618 119.800 -0.069 0.000 2.226 239 Q HA -0.098 4.244 4.340 0.004 0.000 0.204 239 Q C 2.297 178.261 176.000 -0.060 0.000 0.975 239 Q CA 1.814 57.592 55.803 -0.042 0.000 0.866 239 Q CB -0.444 28.293 28.738 -0.003 0.000 0.915 239 Q HN 0.680 nan 8.270 nan 0.000 0.440 240 A N 0.363 123.125 122.820 -0.096 0.000 2.030 240 A HA 0.012 4.334 4.320 0.004 0.000 0.215 240 A C 1.503 178.985 177.584 -0.171 0.000 1.164 240 A CA 0.681 52.669 52.037 -0.081 0.000 0.697 240 A CB 0.247 19.286 19.000 0.065 0.000 0.827 240 A HN 0.248 nan 8.150 nan 0.000 0.457 241 N N -1.526 116.978 118.700 -0.327 0.000 2.129 241 N HA 0.276 5.019 4.740 0.004 0.000 0.222 241 N C 0.776 176.178 175.510 -0.180 0.000 1.303 241 N CA 0.887 53.749 53.050 -0.312 0.000 0.897 241 N CB 1.433 39.555 38.487 -0.609 0.000 1.093 241 N HN 0.560 nan 8.380 nan 0.000 0.501 242 G N 1.478 110.188 108.800 -0.151 0.000 2.698 242 G HA2 -0.215 3.748 3.960 0.004 0.000 0.225 242 G HA3 -0.215 3.748 3.960 0.004 0.000 0.225 242 G C -0.746 174.127 174.900 -0.045 0.000 1.345 242 G CA -0.640 44.422 45.100 -0.064 0.000 0.871 242 G HN 0.091 nan 8.290 nan 0.000 0.540 243 Q N 0.164 119.960 119.800 -0.007 0.000 3.207 243 Q HA 0.450 4.792 4.340 0.004 0.000 0.335 243 Q C -0.047 176.074 176.000 0.202 0.000 1.374 243 Q CA 0.184 55.952 55.803 -0.060 0.000 1.023 243 Q CB 0.590 29.285 28.738 -0.073 0.000 1.576 243 Q HN 0.635 nan 8.270 nan 0.000 0.515 244 V N 1.669 121.717 119.914 0.223 0.000 2.733 244 V HA 0.367 4.489 4.120 0.004 0.000 0.306 244 V C 0.805 177.107 176.094 0.346 0.000 1.084 244 V CA -0.528 61.955 62.300 0.305 0.000 0.905 244 V CB 1.961 33.880 31.823 0.161 0.000 1.010 244 V HN 0.444 nan 8.190 nan 0.000 0.424 245 I N 0.735 121.495 120.570 0.317 0.000 3.570 245 I HA 0.456 4.628 4.170 0.004 0.000 0.270 245 I C 0.542 176.709 176.117 0.084 0.000 1.162 245 I CA 0.212 61.635 61.300 0.204 0.000 1.413 245 I CB 0.522 38.583 38.000 0.103 0.000 1.437 245 I HN 0.698 nan 8.210 nan 0.000 0.457 246 N N 0.530 119.250 118.700 0.033 0.000 2.831 246 N HA 0.254 4.996 4.740 0.004 0.000 0.276 246 N C 0.048 175.577 175.510 0.032 0.000 1.416 246 N CA -0.704 52.355 53.050 0.014 0.000 0.799 246 N CB 1.115 39.585 38.487 -0.030 0.000 1.554 246 N HN 0.152 nan 8.380 nan 0.000 0.541 247 Q N -0.695 119.126 119.800 0.035 0.000 1.967 247 Q HA -0.108 4.235 4.340 0.004 0.000 0.202 247 Q C -0.517 175.518 176.000 0.057 0.000 0.985 247 Q CA 1.728 57.558 55.803 0.046 0.000 0.839 247 Q CB -0.224 28.534 28.738 0.034 0.000 0.906 247 Q HN 0.701 nan 8.270 nan 0.000 0.423 248 D N 0.409 120.843 120.400 0.056 0.000 2.473 248 D HA 0.098 4.740 4.640 0.004 0.000 0.226 248 D C -1.948 174.400 176.300 0.080 0.000 1.089 248 D CA -2.543 51.522 54.000 0.108 0.000 0.883 248 D CB 1.190 42.065 40.800 0.126 0.000 1.029 248 D HN -0.072 nan 8.370 nan 0.000 0.517 249 P HA -0.137 nan 4.420 nan 0.000 0.228 249 P C 0.651 177.840 177.300 -0.186 0.000 1.151 249 P CA 0.711 63.595 63.100 -0.360 0.000 0.770 249 P CB 0.035 31.155 31.700 -0.967 0.000 0.786 250 Y N -1.357 119.054 120.300 0.186 0.000 2.544 250 Y HA 0.050 4.602 4.550 0.004 0.000 0.286 250 Y C 1.512 177.624 175.900 0.354 0.000 1.141 250 Y CA 0.193 58.477 58.100 0.307 0.000 1.299 250 Y CB -0.607 37.991 38.460 0.229 0.000 1.030 250 Y HN 0.088 nan 8.280 nan 0.000 0.543 251 H N 0.013 119.252 119.070 0.281 0.000 2.467 251 H HA 0.409 4.967 4.556 0.004 0.000 0.331 251 H C -0.780 174.657 175.328 0.182 0.000 1.120 251 H CA -1.009 55.139 56.048 0.168 0.000 1.270 251 H CB 0.592 30.353 29.762 -0.001 0.000 1.466 251 H HN 0.050 nan 8.280 nan 0.000 0.504 252 Y N 1.752 121.664 120.300 -0.647 0.000 2.689 252 Y HA 0.523 5.075 4.550 0.004 0.000 0.333 252 Y C -2.064 173.451 175.900 -0.641 0.000 1.190 252 Y CA -1.529 56.315 58.100 -0.428 0.000 1.063 252 Y CB 0.654 39.018 38.460 -0.161 0.000 1.294 252 Y HN 0.517 nan 8.280 nan 0.000 0.466 253 Y N 0.002 120.218 120.300 -0.140 0.000 2.570 253 Y HA 0.719 5.271 4.550 0.004 0.000 0.345 253 Y C -0.038 175.821 175.900 -0.069 0.000 1.014 253 Y CA -0.609 57.387 58.100 -0.174 0.000 1.063 253 Y CB 2.602 41.023 38.460 -0.066 0.000 1.272 253 Y HN 0.814 nan 8.280 nan 0.000 0.477 254 T N 0.386 114.976 114.554 0.061 0.000 2.906 254 T HA 0.867 5.219 4.350 0.004 0.000 0.295 254 T C -0.954 173.760 174.700 0.024 0.000 1.061 254 T CA -0.777 61.347 62.100 0.041 0.000 1.000 254 T CB 1.564 70.447 68.868 0.025 0.000 1.103 254 T HN 0.685 nan 8.240 nan 0.000 0.486 255 I N -1.077 119.488 120.570 -0.008 0.000 2.865 255 I HA 0.727 4.899 4.170 0.004 0.000 0.302 255 I C 0.157 176.266 176.117 -0.012 0.000 1.140 255 I CA -1.190 60.102 61.300 -0.012 0.000 1.021 255 I CB 2.369 40.350 38.000 -0.031 0.000 1.233 255 I HN 0.884 nan 8.210 nan 0.000 0.427 256 T N -0.691 113.867 114.554 0.006 0.000 2.766 256 T HA 0.212 4.564 4.350 0.004 0.000 0.295 256 T C 0.716 175.437 174.700 0.034 0.000 1.024 256 T CA 0.011 62.127 62.100 0.027 0.000 1.018 256 T CB 1.481 70.368 68.868 0.032 0.000 1.002 256 T HN 0.878 nan 8.240 nan 0.000 0.532 257 E N 0.197 120.441 120.200 0.073 0.000 2.150 257 E HA -0.091 4.262 4.350 0.004 0.000 0.193 257 E C 2.306 178.954 176.600 0.081 0.000 0.985 257 E CA 0.914 57.379 56.400 0.108 0.000 0.814 257 E CB -0.130 29.661 29.700 0.152 0.000 0.752 257 E HN 0.726 nan 8.360 nan 0.000 0.466 258 S N 0.512 116.252 115.700 0.067 0.000 2.368 258 S HA -0.199 4.273 4.470 0.004 0.000 0.225 258 S C 2.053 176.673 174.600 0.033 0.000 1.030 258 S CA 0.995 59.234 58.200 0.064 0.000 0.999 258 S CB -0.209 63.023 63.200 0.054 0.000 0.844 258 S HN 0.422 nan 8.310 nan 0.000 0.459 259 A N 1.480 124.308 122.820 0.014 0.000 1.877 259 A HA -0.179 4.144 4.320 0.004 0.000 0.216 259 A C 2.087 179.638 177.584 -0.054 0.000 1.186 259 A CA 1.688 53.712 52.037 -0.021 0.000 0.620 259 A CB -0.639 18.347 19.000 -0.023 0.000 0.822 259 A HN 0.561 nan 8.150 nan 0.000 0.443 260 E N -0.838 119.339 120.200 -0.038 0.000 2.051 260 E HA -0.294 4.059 4.350 0.004 0.000 0.192 260 E C 2.215 178.729 176.600 -0.143 0.000 0.991 260 E CA 1.586 57.943 56.400 -0.072 0.000 0.799 260 E CB -0.136 29.564 29.700 -0.001 0.000 0.748 260 E HN 0.605 nan 8.360 nan 0.000 0.449 261 Q N 0.715 120.474 119.800 -0.069 0.000 2.112 261 Q HA -0.242 4.100 4.340 0.004 0.000 0.206 261 Q C 1.850 177.789 176.000 -0.102 0.000 0.987 261 Q CA 2.160 57.920 55.803 -0.072 0.000 0.858 261 Q CB -0.174 28.592 28.738 0.047 0.000 0.905 261 Q HN 0.195 nan 8.270 nan 0.000 0.420 262 E N -0.518 119.639 120.200 -0.073 0.000 2.106 262 E HA -0.121 4.232 4.350 0.004 0.000 0.192 262 E C 1.654 178.143 176.600 -0.184 0.000 0.984 262 E CA 0.942 57.296 56.400 -0.077 0.000 0.806 262 E CB -0.202 29.474 29.700 -0.041 0.000 0.750 262 E HN 0.410 nan 8.360 nan 0.000 0.458 263 L N 0.011 121.092 121.223 -0.237 0.000 2.046 263 L HA -0.142 4.201 4.340 0.004 0.000 0.208 263 L C 2.426 179.144 176.870 -0.253 0.000 1.077 263 L CA 1.006 55.658 54.840 -0.313 0.000 0.747 263 L CB -0.378 41.551 42.059 -0.216 0.000 0.896 263 L HN 0.219 nan 8.230 nan 0.000 0.432 264 I N -0.137 120.212 120.570 -0.368 0.000 2.179 264 I HA -0.325 3.848 4.170 0.004 0.000 0.242 264 I C 2.718 178.740 176.117 -0.159 0.000 1.088 264 I CA 1.412 62.453 61.300 -0.431 0.000 1.357 264 I CB -0.334 37.310 38.000 -0.593 0.000 1.051 264 I HN 0.245 nan 8.210 nan 0.000 0.409 265 K N 1.440 121.751 120.400 -0.147 0.000 2.032 265 K HA -0.219 4.104 4.320 0.004 0.000 0.209 265 K C 2.187 178.764 176.600 -0.038 0.000 1.048 265 K CA 1.755 58.000 56.287 -0.070 0.000 0.927 265 K CB -0.159 32.314 32.500 -0.045 0.000 0.712 265 K HN 0.294 nan 8.250 nan 0.000 0.441 266 A N 0.428 123.151 122.820 -0.162 0.000 1.930 266 A HA -0.108 4.214 4.320 0.004 0.000 0.217 266 A C 2.175 179.701 177.584 -0.097 0.000 1.175 266 A CA 2.035 53.854 52.037 -0.363 0.000 0.627 266 A CB -0.923 17.423 19.000 -1.090 0.000 0.815 266 A HN 0.458 nan 8.150 nan 0.000 0.443 267 T N 0.558 115.112 114.554 -0.001 0.000 2.708 267 T HA -0.159 4.193 4.350 0.004 0.000 0.266 267 T C 1.743 176.508 174.700 0.108 0.000 1.037 267 T CA 1.837 64.002 62.100 0.109 0.000 1.146 267 T CB -0.532 68.465 68.868 0.215 0.000 0.865 267 T HN 0.712 nan 8.240 nan 0.000 0.435 268 N N 0.339 119.108 118.700 0.115 0.000 2.188 268 N HA -0.085 4.657 4.740 0.004 0.000 0.184 268 N C 2.045 177.679 175.510 0.207 0.000 1.018 268 N CA 0.875 54.019 53.050 0.157 0.000 0.858 268 N CB -0.022 38.538 38.487 0.122 0.000 0.989 268 N HN 0.498 nan 8.380 nan 0.000 0.426 269 E N 1.174 121.475 120.200 0.169 0.000 2.072 269 E HA -0.096 4.256 4.350 0.004 0.000 0.190 269 E C 1.889 178.616 176.600 0.212 0.000 0.982 269 E CA 0.639 57.177 56.400 0.229 0.000 0.803 269 E CB 0.101 29.936 29.700 0.225 0.000 0.755 269 E HN 0.291 nan 8.360 nan 0.000 0.453 270 L N -0.088 121.225 121.223 0.151 0.000 2.156 270 L HA -0.130 4.212 4.340 0.004 0.000 0.208 270 L C 2.528 179.546 176.870 0.247 0.000 1.095 270 L CA 1.170 56.093 54.840 0.138 0.000 0.770 270 L CB -0.361 41.757 42.059 0.098 0.000 0.914 270 L HN 0.284 nan 8.230 nan 0.000 0.439 271 H N -0.040 119.087 119.070 0.094 0.000 2.353 271 H HA -0.179 4.379 4.556 0.004 0.000 0.300 271 H C 2.160 177.679 175.328 0.318 0.000 1.090 271 H CA 1.650 57.808 56.048 0.183 0.000 1.327 271 H CB 0.088 29.948 29.762 0.163 0.000 1.383 271 H HN 0.124 nan 8.280 nan 0.000 0.508 272 L N -0.403 120.975 121.223 0.258 0.000 2.093 272 L HA -0.162 4.180 4.340 0.004 0.000 0.208 272 L C 2.344 179.305 176.870 0.151 0.000 1.085 272 L CA 1.552 56.514 54.840 0.203 0.000 0.755 272 L CB -0.410 41.829 42.059 0.300 0.000 0.904 272 L HN 0.484 nan 8.230 nan 0.000 0.435 273 M N -1.876 117.782 119.600 0.096 0.000 2.086 273 M HA -0.264 4.218 4.480 0.004 0.000 0.261 273 M C 2.231 178.639 176.300 0.180 0.000 1.067 273 M CA 1.957 57.251 55.300 -0.010 0.000 1.116 273 M CB -0.539 31.792 32.600 -0.448 0.000 1.348 273 M HN 0.067 nan 8.290 nan 0.000 0.407 274 Y N 0.530 120.891 120.300 0.102 0.000 2.181 274 Y HA -0.192 4.360 4.550 0.004 0.000 0.288 274 Y C 2.157 178.098 175.900 0.068 0.000 1.146 274 Y CA 1.350 59.533 58.100 0.138 0.000 1.164 274 Y CB -0.269 38.354 38.460 0.271 0.000 0.982 274 Y HN 0.154 nan 8.280 nan 0.000 0.515 275 L N -1.217 120.120 121.223 0.190 0.000 2.156 275 L HA -0.209 4.133 4.340 0.004 0.000 0.208 275 L C 2.243 179.179 176.870 0.109 0.000 1.095 275 L CA 1.640 56.538 54.840 0.098 0.000 0.770 275 L CB -0.844 41.314 42.059 0.164 0.000 0.914 275 L HN 0.341 nan 8.230 nan 0.000 0.439 276 H N 0.737 119.854 119.070 0.078 0.000 2.357 276 H HA -0.061 4.497 4.556 0.004 0.000 0.301 276 H C 2.125 177.452 175.328 -0.000 0.000 1.082 276 H CA 1.563 57.653 56.048 0.070 0.000 1.342 276 H CB 0.208 30.046 29.762 0.126 0.000 1.389 276 H HN 0.215 nan 8.280 nan 0.000 0.511 277 A N -0.807 121.994 122.820 -0.031 0.000 2.066 277 A HA -0.080 4.242 4.320 0.004 0.000 0.218 277 A C 2.385 179.831 177.584 -0.230 0.000 1.157 277 A CA 1.577 53.518 52.037 -0.160 0.000 0.670 277 A CB -0.729 18.247 19.000 -0.041 0.000 0.804 277 A HN 0.539 nan 8.150 nan 0.000 0.453 278 T N -0.310 114.077 114.554 -0.279 0.000 2.777 278 T HA -0.118 4.234 4.350 0.004 0.000 0.266 278 T C 1.658 175.919 174.700 -0.732 0.000 1.040 278 T CA 1.634 63.410 62.100 -0.540 0.000 1.141 278 T CB -0.333 68.084 68.868 -0.752 0.000 0.868 278 T HN 0.673 nan 8.240 nan 0.000 0.444 279 D N 0.747 120.794 120.400 -0.589 0.000 2.104 279 D HA -0.116 4.526 4.640 0.004 0.000 0.194 279 D C 2.210 178.343 176.300 -0.279 0.000 0.994 279 D CA 0.992 54.806 54.000 -0.310 0.000 0.830 279 D CB 0.097 40.957 40.800 0.100 0.000 0.959 279 D HN 0.015 nan 8.370 nan 0.000 0.452 280 K N 0.174 120.384 120.400 -0.316 0.000 2.063 280 K HA -0.086 4.237 4.320 0.004 0.000 0.208 280 K C 2.259 178.710 176.600 -0.248 0.000 1.048 280 K CA 0.475 56.597 56.287 -0.275 0.000 0.928 280 K CB -0.829 31.478 32.500 -0.322 0.000 0.713 280 K HN 0.181 nan 8.250 nan 0.000 0.442 281 V N 1.864 121.602 119.914 -0.294 0.000 2.255 281 V HA -0.215 3.907 4.120 0.004 0.000 0.247 281 V C 2.354 178.226 176.094 -0.369 0.000 1.051 281 V CA 1.536 63.648 62.300 -0.313 0.000 1.018 281 V CB -0.400 31.165 31.823 -0.430 0.000 0.641 281 V HN 0.228 nan 8.190 nan 0.000 0.445 282 L N -0.738 120.235 121.223 -0.415 0.000 2.456 282 L HA -0.095 4.248 4.340 0.004 0.000 0.224 282 L C 2.139 178.875 176.870 -0.223 0.000 1.148 282 L CA 1.137 55.761 54.840 -0.360 0.000 0.825 282 L CB -0.429 41.393 42.059 -0.396 0.000 0.937 282 L HN 0.304 nan 8.230 nan 0.000 0.450 283 K N -0.889 119.398 120.400 -0.188 0.000 2.374 283 K HA 0.032 4.354 4.320 0.004 0.000 0.196 283 K C -0.160 176.370 176.600 -0.116 0.000 1.023 283 K CA 0.060 56.277 56.287 -0.116 0.000 1.103 283 K CB 0.393 32.840 32.500 -0.088 0.000 0.848 283 K HN -0.000 nan 8.250 nan 0.000 0.528 284 D N 0.126 120.431 120.400 -0.159 0.000 2.616 284 D HA 0.062 4.705 4.640 0.004 0.000 0.238 284 D C -0.243 175.949 176.300 -0.179 0.000 1.354 284 D CA -0.308 53.613 54.000 -0.132 0.000 0.970 284 D CB 1.331 42.067 40.800 -0.106 0.000 1.369 284 D HN -0.200 nan 8.370 nan 0.000 0.585 285 D N 2.166 122.479 120.400 -0.145 0.000 2.172 285 D HA -0.171 4.471 4.640 0.004 0.000 0.196 285 D C 1.278 177.504 176.300 -0.124 0.000 0.999 285 D CA 1.227 55.128 54.000 -0.164 0.000 0.856 285 D CB 0.137 40.969 40.800 0.053 0.000 0.934 285 D HN 0.575 nan 8.370 nan 0.000 0.453 286 N N -0.526 118.137 118.700 -0.061 0.000 2.188 286 N HA -0.043 4.699 4.740 0.004 0.000 0.184 286 N C 1.807 177.286 175.510 -0.051 0.000 1.018 286 N CA 0.353 53.383 53.050 -0.033 0.000 0.858 286 N CB 0.078 38.550 38.487 -0.025 0.000 0.989 286 N HN 0.152 nan 8.380 nan 0.000 0.426 287 L N 0.272 121.453 121.223 -0.070 0.000 2.044 287 L HA -0.076 4.266 4.340 0.004 0.000 0.205 287 L C 2.234 179.121 176.870 0.027 0.000 1.075 287 L CA 0.487 55.322 54.840 -0.008 0.000 0.747 287 L CB -0.378 41.666 42.059 -0.025 0.000 0.903 287 L HN 0.205 nan 8.230 nan 0.000 0.435 288 L N 0.659 121.750 121.223 -0.220 0.000 2.079 288 L HA -0.171 4.171 4.340 0.004 0.000 0.210 288 L C 2.620 179.361 176.870 -0.216 0.000 1.081 288 L CA 1.988 56.561 54.840 -0.445 0.000 0.752 288 L CB -0.841 40.587 42.059 -1.050 0.000 0.896 288 L HN 0.171 nan 8.230 nan 0.000 0.433 289 A N -0.630 122.107 122.820 -0.139 0.000 1.978 289 A HA -0.188 4.135 4.320 0.004 0.000 0.220 289 A C 2.209 179.891 177.584 0.164 0.000 1.170 289 A CA 1.830 53.991 52.037 0.207 0.000 0.636 289 A CB -0.927 18.208 19.000 0.225 0.000 0.810 289 A HN 0.527 nan 8.150 nan 0.000 0.448 290 L N -1.952 119.312 121.223 0.068 0.000 2.450 290 L HA -0.131 4.211 4.340 0.004 0.000 0.224 290 L C 1.609 178.434 176.870 -0.075 0.000 1.149 290 L CA 0.672 55.447 54.840 -0.108 0.000 0.816 290 L CB -0.437 41.453 42.059 -0.281 0.000 0.932 290 L HN 0.369 nan 8.230 nan 0.000 0.449 291 F N -0.721 119.248 119.950 0.031 0.000 2.797 291 F HA 0.021 4.551 4.527 0.005 0.000 0.302 291 F C 0.773 176.648 175.800 0.126 0.000 1.130 291 F CA -0.283 57.766 58.000 0.081 0.000 1.387 291 F CB -0.279 38.746 39.000 0.042 0.000 1.107 291 F HN 0.053 nan 8.300 nan 0.000 0.577 292 D N 1.101 121.658 120.400 0.261 0.000 2.751 292 D HA -0.230 4.413 4.640 0.004 0.000 0.233 292 D C -0.039 176.410 176.300 0.249 0.000 1.149 292 D CA 0.707 54.839 54.000 0.219 0.000 0.682 292 D CB -1.409 39.480 40.800 0.147 0.000 1.068 292 D HN 0.244 nan 8.370 nan 0.000 0.429 293 I N 0.387 121.146 120.570 0.315 0.000 2.385 293 I HA 0.192 4.364 4.170 0.004 0.000 0.294 293 I C -1.839 174.362 176.117 0.140 0.000 0.988 293 I CA -2.038 59.380 61.300 0.196 0.000 1.265 293 I CB 1.098 39.198 38.000 0.167 0.000 1.388 293 I HN -0.331 nan 8.210 nan 0.000 0.480 294 P HA -0.077 nan 4.420 nan 0.000 0.256 294 P C 0.402 177.519 177.300 -0.305 0.000 1.173 294 P CA 0.248 63.260 63.100 -0.146 0.000 0.768 294 P CB 0.395 31.991 31.700 -0.173 0.000 0.758 295 K N 4.073 124.141 120.400 -0.553 0.000 2.189 295 K HA -0.226 4.096 4.320 0.004 0.000 0.207 295 K C 1.586 177.785 176.600 -0.668 0.000 1.046 295 K CA 1.350 56.922 56.287 -1.192 0.000 0.928 295 K CB -0.552 31.372 32.500 -0.961 0.000 0.720 295 K HN 0.305 nan 8.250 nan 0.000 0.458 296 I N 0.624 121.008 120.570 -0.311 0.000 2.567 296 I HA -0.176 3.996 4.170 0.004 0.000 0.257 296 I C 1.285 177.312 176.117 -0.150 0.000 1.184 296 I CA 1.294 62.492 61.300 -0.169 0.000 1.451 296 I CB 0.098 38.022 38.000 -0.126 0.000 1.089 296 I HN 0.203 nan 8.210 nan 0.000 0.441 297 L N -1.728 119.397 121.223 -0.163 0.000 2.446 297 L HA -0.052 4.291 4.340 0.004 0.000 0.219 297 L C 1.930 178.854 176.870 0.091 0.000 1.116 297 L CA -0.034 54.748 54.840 -0.096 0.000 0.844 297 L CB -0.595 41.300 42.059 -0.273 0.000 0.970 297 L HN 0.276 nan 8.230 nan 0.000 0.457 298 W N 1.104 122.320 121.300 -0.141 0.000 2.304 298 W HA -0.158 4.504 4.660 0.003 0.000 0.315 298 W C -0.282 176.189 176.519 -0.080 0.000 1.233 298 W CA 1.041 58.320 57.345 -0.111 0.000 1.261 298 W CB -2.488 26.922 29.460 -0.084 0.000 1.150 298 W HN 0.175 nan 8.180 nan 0.000 0.494 299 P HA -0.105 nan 4.420 nan 0.000 0.221 299 P C 1.638 178.972 177.300 0.057 0.000 1.150 299 P CA 1.676 64.832 63.100 0.094 0.000 0.800 299 P CB -0.097 31.645 31.700 0.070 0.000 0.787 300 R N -0.478 120.045 120.500 0.039 0.000 2.092 300 R HA 0.029 4.371 4.340 0.004 0.000 0.231 300 R C 2.304 178.611 176.300 0.013 0.000 1.119 300 R CA 0.907 57.016 56.100 0.016 0.000 0.970 300 R CB -1.329 28.963 30.300 -0.015 0.000 0.864 300 R HN 0.313 nan 8.270 nan 0.000 0.440 301 L N 0.272 121.495 121.223 -0.000 0.000 2.046 301 L HA -0.184 4.158 4.340 0.004 0.000 0.208 301 L C 2.680 179.579 176.870 0.048 0.000 1.077 301 L CA 1.519 56.351 54.840 -0.014 0.000 0.747 301 L CB -0.366 41.640 42.059 -0.088 0.000 0.896 301 L HN 0.146 nan 8.230 nan 0.000 0.432 302 R N -0.217 120.303 120.500 0.033 0.000 2.081 302 R HA -0.142 4.201 4.340 0.004 0.000 0.235 302 R C 2.295 178.660 176.300 0.109 0.000 1.131 302 R CA 1.188 57.328 56.100 0.068 0.000 0.960 302 R CB -0.341 29.979 30.300 0.035 0.000 0.856 302 R HN 0.304 nan 8.270 nan 0.000 0.436 303 L N -0.188 121.083 121.223 0.079 0.000 2.056 303 L HA -0.182 4.161 4.340 0.004 0.000 0.207 303 L C 2.648 179.576 176.870 0.097 0.000 1.078 303 L CA 1.187 56.069 54.840 0.069 0.000 0.749 303 L CB -0.488 41.604 42.059 0.055 0.000 0.901 303 L HN 0.241 nan 8.230 nan 0.000 0.433 304 S N -0.425 115.358 115.700 0.139 0.000 2.353 304 S HA -0.278 4.195 4.470 0.004 0.000 0.222 304 S C 1.868 176.664 174.600 0.326 0.000 1.035 304 S CA 1.412 59.749 58.200 0.229 0.000 1.025 304 S CB -0.498 62.841 63.200 0.232 0.000 0.902 304 S HN 0.583 nan 8.310 nan 0.000 0.440 305 W N 1.820 123.135 121.300 0.025 0.000 2.321 305 W HA -0.239 4.423 4.660 0.004 0.000 0.306 305 W C 2.349 178.688 176.519 -0.299 0.000 1.217 305 W CA 1.776 58.936 57.345 -0.309 0.000 1.257 305 W CB -0.523 28.766 29.460 -0.284 0.000 1.145 305 W HN 0.520 nan 8.180 nan 0.000 0.509 306 Q N 0.825 120.540 119.800 -0.142 0.000 2.050 306 Q HA -0.268 4.074 4.340 0.004 0.000 0.202 306 Q C 2.386 178.247 176.000 -0.232 0.000 0.980 306 Q CA 2.522 58.177 55.803 -0.245 0.000 0.840 306 Q CB -0.357 28.334 28.738 -0.078 0.000 0.898 306 Q HN 0.437 nan 8.270 nan 0.000 0.424 307 R N -1.242 119.188 120.500 -0.117 0.000 2.290 307 R HA 0.130 4.473 4.340 0.004 0.000 0.197 307 R C 0.752 176.943 176.300 -0.180 0.000 0.913 307 R CA 0.118 56.165 56.100 -0.088 0.000 1.040 307 R CB 0.390 30.698 30.300 0.014 0.000 0.992 307 R HN 0.054 nan 8.270 nan 0.000 0.500 308 R N 0.772 121.143 120.500 -0.215 0.000 2.629 308 R HA 0.157 4.500 4.340 0.004 0.000 0.408 308 R C 0.840 177.010 176.300 -0.217 0.000 1.057 308 R CA -0.298 55.557 56.100 -0.408 0.000 1.119 308 R CB 0.476 30.885 30.300 0.181 0.000 1.403 308 R HN 0.032 nan 8.270 nan 0.000 0.576 309 R N 1.325 121.521 120.500 -0.506 0.000 2.140 309 R HA -0.170 4.173 4.340 0.004 0.000 0.250 309 R C 0.949 176.927 176.300 -0.537 0.000 1.150 309 R CA 1.850 57.411 56.100 -0.898 0.000 0.966 309 R CB -0.343 29.280 30.300 -1.128 0.000 0.869 309 R HN 0.341 nan 8.270 nan 0.000 0.445 310 H N -1.254 117.718 119.070 -0.164 0.000 2.505 310 H HA 0.135 4.693 4.556 0.003 0.000 0.289 310 H C 0.257 175.797 175.328 0.352 0.000 1.052 310 H CA 0.211 56.323 56.048 0.106 0.000 1.156 310 H CB 0.172 29.993 29.762 0.098 0.000 1.507 310 H HN 0.581 nan 8.280 nan 0.000 0.548 311 H N -0.192 119.116 119.070 0.396 0.000 2.517 311 H HA 0.138 4.696 4.556 0.004 0.000 0.282 311 H C 0.826 176.371 175.328 0.362 0.000 1.023 311 H CA -0.377 55.894 56.048 0.371 0.000 1.169 311 H CB 0.734 30.674 29.762 0.297 0.000 1.454 311 H HN 0.142 nan 8.280 nan 0.000 0.556 312 M N 1.781 121.670 119.600 0.482 0.000 2.200 312 M HA 0.017 4.500 4.480 0.004 0.000 0.355 312 M C 0.164 176.552 176.300 0.146 0.000 1.283 312 M CA -0.145 55.334 55.300 0.298 0.000 1.124 312 M CB 0.639 33.437 32.600 0.330 0.000 1.625 312 M HN 0.177 nan 8.290 nan 0.000 0.463 313 I N 2.349 122.924 120.570 0.008 0.000 2.385 313 I HA 0.080 4.253 4.170 0.004 0.000 0.244 313 I C 1.245 177.308 176.117 -0.089 0.000 1.089 313 I CA 1.020 62.169 61.300 -0.251 0.000 1.410 313 I CB -0.484 37.102 38.000 -0.689 0.000 1.117 313 I HN 0.745 nan 8.210 nan 0.000 0.429 314 T N -0.759 113.830 114.554 0.058 0.000 2.885 314 T HA 0.657 5.009 4.350 0.004 0.000 0.322 314 T C -0.789 174.080 174.700 0.281 0.000 1.387 314 T CA -0.203 62.013 62.100 0.194 0.000 1.041 314 T CB 1.807 70.837 68.868 0.270 0.000 1.287 314 T HN 0.411 nan 8.240 nan 0.000 0.491 315 G N 1.605 110.615 108.800 0.349 0.000 2.687 315 G HA2 0.736 4.699 3.960 0.004 0.000 0.291 315 G HA3 0.736 4.699 3.960 0.004 0.000 0.291 315 G C -1.839 173.273 174.900 0.354 0.000 1.420 315 G CA -0.720 44.583 45.100 0.338 0.000 0.796 315 G HN 0.728 nan 8.290 nan 0.000 0.485 316 R N 0.099 120.752 120.500 0.255 0.000 2.533 316 R HA 0.481 4.823 4.340 0.004 0.000 0.288 316 R C -0.752 175.536 176.300 -0.021 0.000 1.039 316 R CA -0.620 55.476 56.100 -0.007 0.000 0.909 316 R CB 1.644 31.855 30.300 -0.148 0.000 1.195 316 R HN 0.524 nan 8.270 nan 0.000 0.438 317 M N 2.660 122.139 119.600 -0.202 0.000 2.318 317 M HA 0.298 4.780 4.480 0.004 0.000 0.347 317 M C -0.852 175.235 176.300 -0.355 0.000 1.175 317 M CA -0.491 54.580 55.300 -0.381 0.000 1.075 317 M CB 1.521 33.719 32.600 -0.669 0.000 1.614 317 M HN 0.312 nan 8.290 nan 0.000 0.456 318 D N 2.873 123.061 120.400 -0.354 0.000 2.256 318 D HA 0.559 5.202 4.640 0.004 0.000 0.240 318 D C -1.172 174.951 176.300 -0.295 0.000 1.062 318 D CA 0.180 54.090 54.000 -0.150 0.000 0.832 318 D CB 1.167 41.993 40.800 0.043 0.000 1.135 318 D HN 0.263 nan 8.370 nan 0.000 0.484 319 F N 0.178 120.024 119.950 -0.174 0.000 2.593 319 F HA 0.376 4.905 4.527 0.004 0.000 0.320 319 F C -0.025 175.558 175.800 -0.361 0.000 1.060 319 F CA -1.130 56.658 58.000 -0.354 0.000 0.940 319 F CB 1.706 40.559 39.000 -0.245 0.000 1.268 319 F HN 0.201 nan 8.300 nan 0.000 0.475 320 C N 4.475 123.637 119.300 -0.231 0.000 2.281 320 C HA 0.762 5.225 4.460 0.004 0.000 0.323 320 C C -0.548 174.480 174.990 0.063 0.000 1.270 320 C CA -0.591 58.408 59.018 -0.032 0.000 1.559 320 C CB -0.544 27.256 27.740 0.100 0.000 2.239 320 C HN 0.822 nan 8.230 nan 0.000 0.488 321 M N 7.165 126.806 119.600 0.068 0.000 2.326 321 M HA 0.612 5.094 4.480 0.004 0.000 0.306 321 M C -1.456 174.891 176.300 0.078 0.000 1.054 321 M CA 0.115 55.440 55.300 0.041 0.000 0.922 321 M CB 1.448 34.010 32.600 -0.063 0.000 1.632 321 M HN 0.950 nan 8.290 nan 0.000 0.436 322 D N 1.761 122.225 120.400 0.107 0.000 2.879 322 D HA 0.041 4.683 4.640 0.004 0.000 0.346 322 D C -0.047 176.311 176.300 0.095 0.000 1.390 322 D CA -0.202 53.850 54.000 0.086 0.000 0.838 322 D CB 0.086 40.937 40.800 0.084 0.000 1.416 322 D HN 0.680 nan 8.370 nan 0.000 0.493 323 E N -0.217 120.024 120.200 0.069 0.000 2.333 323 E HA -0.195 4.158 4.350 0.004 0.000 0.200 323 E C 1.309 177.963 176.600 0.091 0.000 1.010 323 E CA 1.014 57.452 56.400 0.064 0.000 0.841 323 E CB -0.255 29.468 29.700 0.039 0.000 0.757 323 E HN 0.344 nan 8.360 nan 0.000 0.508 324 R N 0.543 121.119 120.500 0.127 0.000 2.275 324 R HA 0.203 4.545 4.340 0.004 0.000 0.199 324 R C 0.790 177.290 176.300 0.332 0.000 0.989 324 R CA 0.485 56.701 56.100 0.195 0.000 1.016 324 R CB 0.458 30.839 30.300 0.135 0.000 0.918 324 R HN 0.310 nan 8.270 nan 0.000 0.473 325 G N 0.396 109.360 108.800 0.274 0.000 2.298 325 G HA2 -0.033 3.929 3.960 0.004 0.000 0.309 325 G HA3 -0.033 3.929 3.960 0.004 0.000 0.309 325 G C -2.210 172.802 174.900 0.186 0.000 1.279 325 G CA -0.958 44.276 45.100 0.223 0.000 1.042 325 G HN 0.016 nan 8.290 nan 0.000 0.480 326 L N 0.478 121.780 121.223 0.133 0.000 2.325 326 L HA 0.884 5.227 4.340 0.004 0.000 0.281 326 L C -0.710 176.194 176.870 0.058 0.000 1.004 326 L CA -0.913 53.955 54.840 0.046 0.000 0.823 326 L CB 1.458 43.511 42.059 -0.010 0.000 1.236 326 L HN 0.556 nan 8.230 nan 0.000 0.415 327 K N 4.050 124.415 120.400 -0.058 0.000 2.427 327 K HA 0.511 4.833 4.320 0.004 0.000 0.252 327 K C -1.514 175.051 176.600 -0.057 0.000 0.931 327 K CA -0.654 55.522 56.287 -0.184 0.000 0.793 327 K CB 2.612 34.652 32.500 -0.767 0.000 1.211 327 K HN 0.380 nan 8.250 nan 0.000 0.426 328 V N 4.676 124.548 119.914 -0.068 0.000 2.394 328 V HA 0.204 4.326 4.120 0.004 0.000 0.282 328 V C 0.091 176.051 176.094 -0.224 0.000 1.031 328 V CA -0.052 62.043 62.300 -0.341 0.000 0.881 328 V CB 0.567 32.117 31.823 -0.455 0.000 0.982 328 V HN 0.649 nan 8.190 nan 0.000 0.451 329 Y N 4.561 124.766 120.300 -0.157 0.000 2.269 329 Y HA 0.205 4.757 4.550 0.004 0.000 0.294 329 Y C 1.188 177.044 175.900 -0.074 0.000 1.120 329 Y CA 0.680 58.726 58.100 -0.091 0.000 1.159 329 Y CB 0.103 38.522 38.460 -0.068 0.000 1.024 329 Y HN 0.828 nan 8.280 nan 0.000 0.532 330 E N -2.923 117.309 120.200 0.053 0.000 2.422 330 E HA 0.239 4.592 4.350 0.004 0.000 0.280 330 E C -2.040 174.550 176.600 -0.016 0.000 1.091 330 E CA -1.058 55.385 56.400 0.072 0.000 0.849 330 E CB 1.113 30.844 29.700 0.051 0.000 1.353 330 E HN -0.131 nan 8.360 nan 0.000 0.449 331 Y N 1.963 122.141 120.300 -0.204 0.000 2.426 331 Y HA 0.397 4.950 4.550 0.004 0.000 0.325 331 Y C -1.121 174.646 175.900 -0.221 0.000 0.989 331 Y CA -2.044 55.816 58.100 -0.400 0.000 1.284 331 Y CB 0.932 38.770 38.460 -1.037 0.000 1.104 331 Y HN 0.573 nan 8.280 nan 0.000 0.481 332 N N 5.291 124.039 118.700 0.081 0.000 2.671 332 N HA 0.166 4.909 4.740 0.004 0.000 0.274 332 N C 0.659 176.088 175.510 -0.134 0.000 1.188 332 N CA 0.403 53.433 53.050 -0.034 0.000 1.065 332 N CB 1.138 39.630 38.487 0.008 0.000 1.415 332 N HN 0.725 nan 8.380 nan 0.000 0.511 333 A N 0.709 123.279 122.820 -0.417 0.000 2.147 333 A HA -0.068 4.254 4.320 0.004 0.000 0.211 333 A C 1.738 179.175 177.584 -0.244 0.000 1.160 333 A CA 0.503 52.207 52.037 -0.555 0.000 0.781 333 A CB 0.179 18.608 19.000 -0.952 0.000 0.842 333 A HN 0.413 nan 8.150 nan 0.000 0.475 334 D N 0.560 120.874 120.400 -0.143 0.000 2.232 334 D HA -0.024 4.618 4.640 0.004 0.000 0.220 334 D C 0.732 177.022 176.300 -0.017 0.000 0.982 334 D CA 1.655 55.627 54.000 -0.046 0.000 0.892 334 D CB 0.025 40.836 40.800 0.017 0.000 1.040 334 D HN 0.291 nan 8.370 nan 0.000 0.463 335 S N -0.174 115.516 115.700 -0.017 0.000 2.496 335 S HA 0.789 5.262 4.470 0.004 0.000 0.221 335 S C -0.527 174.113 174.600 0.066 0.000 1.260 335 S CA -0.662 57.542 58.200 0.007 0.000 1.181 335 S CB 1.091 64.239 63.200 -0.087 0.000 1.136 335 S HN 0.396 nan 8.310 nan 0.000 0.467 336 A N 2.665 125.595 122.820 0.184 0.000 2.306 336 A HA 0.942 5.264 4.320 0.004 0.000 0.330 336 A C 0.467 178.251 177.584 0.334 0.000 1.146 336 A CA -0.487 51.682 52.037 0.221 0.000 0.827 336 A CB 1.210 20.372 19.000 0.269 0.000 1.178 336 A HN 1.362 nan 8.150 nan 0.000 0.490 337 S N -1.111 114.685 115.700 0.160 0.000 2.855 337 S HA 0.623 5.096 4.470 0.004 0.000 0.308 337 S C 0.414 175.187 174.600 0.288 0.000 1.077 337 S CA 0.073 58.318 58.200 0.075 0.000 0.896 337 S CB 0.703 63.597 63.200 -0.510 0.000 1.339 337 S HN 1.766 nan 8.310 nan 0.000 0.602 338 C N 0.123 119.552 119.300 0.215 0.000 5.444 338 C HA -0.118 4.344 4.460 0.004 0.000 0.217 338 C C 1.648 176.769 174.990 0.217 0.000 1.175 338 C CA 0.611 59.759 59.018 0.216 0.000 1.219 338 C CB -3.069 24.776 27.740 0.175 0.000 1.997 338 C HN 0.983 nan 8.230 nan 0.000 0.644 339 H N 0.384 119.490 119.070 0.061 0.000 2.352 339 H HA -0.148 4.411 4.556 0.004 0.000 0.299 339 H C 1.956 176.802 175.328 -0.804 0.000 1.097 339 H CA 1.991 57.790 56.048 -0.414 0.000 1.311 339 H CB -0.180 29.426 29.762 -0.260 0.000 1.377 339 H HN 0.660 nan 8.280 nan 0.000 0.504 340 T N 0.966 115.130 114.554 -0.650 0.000 2.746 340 T HA -0.115 4.238 4.350 0.004 0.000 0.267 340 T C 1.887 176.347 174.700 -0.400 0.000 1.039 340 T CA 1.372 62.981 62.100 -0.818 0.000 1.142 340 T CB -0.117 68.660 68.868 -0.152 0.000 0.866 340 T HN 0.327 nan 8.240 nan 0.000 0.444 341 E N 1.517 121.608 120.200 -0.182 0.000 2.038 341 E HA -0.028 4.324 4.350 0.004 0.000 0.195 341 E C 2.440 178.973 176.600 -0.110 0.000 1.000 341 E CA 1.370 57.682 56.400 -0.145 0.000 0.803 341 E CB -0.595 29.111 29.700 0.010 0.000 0.750 341 E HN 0.487 nan 8.360 nan 0.000 0.448 342 A N 0.113 122.903 122.820 -0.050 0.000 1.898 342 A HA -0.012 4.310 4.320 0.004 0.000 0.216 342 A C 2.327 179.894 177.584 -0.028 0.000 1.181 342 A CA 1.719 53.761 52.037 0.008 0.000 0.620 342 A CB -0.857 18.252 19.000 0.181 0.000 0.819 342 A HN 0.341 nan 8.150 nan 0.000 0.442 343 G N -2.028 106.710 108.800 -0.104 0.000 2.939 343 G HA2 0.314 4.276 3.960 0.004 0.000 0.210 343 G HA3 0.314 4.276 3.960 0.004 0.000 0.210 343 G C 1.061 176.018 174.900 0.095 0.000 1.160 343 G CA 1.022 46.130 45.100 0.014 0.000 0.770 343 G HN 0.464 nan 8.290 nan 0.000 0.543 344 L N -0.714 120.511 121.223 0.003 0.000 2.658 344 L HA 0.432 4.774 4.340 0.004 0.000 0.201 344 L C 2.059 178.921 176.870 -0.012 0.000 1.050 344 L CA 0.408 55.280 54.840 0.052 0.000 0.893 344 L CB -0.302 41.823 42.059 0.110 0.000 1.503 344 L HN -0.071 nan 8.230 nan 0.000 0.485 345 I N 0.734 121.213 120.570 -0.152 0.000 2.179 345 I HA -0.243 3.930 4.170 0.004 0.000 0.242 345 I C 2.565 178.743 176.117 0.101 0.000 1.088 345 I CA 1.650 62.854 61.300 -0.159 0.000 1.357 345 I CB -1.361 36.321 38.000 -0.531 0.000 1.051 345 I HN 0.288 nan 8.210 nan 0.000 0.409 346 L N 0.170 121.424 121.223 0.052 0.000 2.131 346 L HA -0.173 4.169 4.340 0.004 0.000 0.210 346 L C 2.665 179.691 176.870 0.260 0.000 1.092 346 L CA 1.023 55.943 54.840 0.132 0.000 0.759 346 L CB -0.484 41.572 42.059 -0.005 0.000 0.903 346 L HN 0.241 nan 8.230 nan 0.000 0.435 347 E N 0.116 120.424 120.200 0.179 0.000 2.058 347 E HA -0.256 4.097 4.350 0.004 0.000 0.194 347 E C 2.207 178.940 176.600 0.221 0.000 0.997 347 E CA 1.126 57.637 56.400 0.184 0.000 0.801 347 E CB -0.200 29.581 29.700 0.135 0.000 0.746 347 E HN 0.220 nan 8.360 nan 0.000 0.450 348 R N 0.438 121.081 120.500 0.239 0.000 2.096 348 R HA -0.156 4.186 4.340 0.004 0.000 0.235 348 R C 1.975 178.539 176.300 0.439 0.000 1.127 348 R CA 1.642 57.916 56.100 0.291 0.000 0.968 348 R CB -1.101 29.351 30.300 0.253 0.000 0.861 348 R HN 0.308 nan 8.270 nan 0.000 0.440 349 W N 0.483 121.975 121.300 0.320 0.000 2.338 349 W HA -0.135 4.527 4.660 0.004 0.000 0.304 349 W C 1.850 178.446 176.519 0.129 0.000 1.212 349 W CA 2.432 59.869 57.345 0.154 0.000 1.264 349 W CB -0.507 28.895 29.460 -0.097 0.000 1.142 349 W HN 0.177 nan 8.180 nan 0.000 0.512 350 A N 0.297 123.237 122.820 0.199 0.000 1.855 350 A HA -0.235 4.088 4.320 0.004 0.000 0.215 350 A C 1.992 179.535 177.584 -0.069 0.000 1.191 350 A CA 1.847 53.863 52.037 -0.036 0.000 0.613 350 A CB -1.361 17.760 19.000 0.201 0.000 0.829 350 A HN 0.532 nan 8.150 nan 0.000 0.442 351 E N -0.944 119.281 120.200 0.041 0.000 2.097 351 E HA -0.341 4.011 4.350 0.004 0.000 0.196 351 E C 2.073 178.636 176.600 -0.062 0.000 1.000 351 E CA 1.824 58.234 56.400 0.017 0.000 0.804 351 E CB -0.151 29.590 29.700 0.068 0.000 0.740 351 E HN 0.525 nan 8.360 nan 0.000 0.454 352 Q N -0.787 118.969 119.800 -0.074 0.000 2.137 352 Q HA 0.049 4.392 4.340 0.004 0.000 0.198 352 Q C 1.627 177.357 176.000 -0.450 0.000 0.960 352 Q CA 1.751 57.436 55.803 -0.196 0.000 0.847 352 Q CB 0.277 28.972 28.738 -0.072 0.000 0.915 352 Q HN 0.368 nan 8.270 nan 0.000 0.448 353 G N -2.434 106.043 108.800 -0.540 0.000 3.581 353 G HA2 0.016 3.979 3.960 0.004 0.000 0.248 353 G HA3 0.016 3.979 3.960 0.004 0.000 0.248 353 G C -0.730 173.883 174.900 -0.477 0.000 1.037 353 G CA -0.341 44.406 45.100 -0.587 0.000 0.902 353 G HN 0.239 nan 8.290 nan 0.000 0.512 354 Y N 1.393 121.321 120.300 -0.620 0.000 2.327 354 Y HA 0.561 5.113 4.550 0.004 0.000 0.336 354 Y C 0.775 176.522 175.900 -0.255 0.000 1.035 354 Y CA -0.506 57.295 58.100 -0.498 0.000 1.165 354 Y CB 1.487 39.627 38.460 -0.533 0.000 1.181 354 Y HN -0.119 nan 8.280 nan 0.000 0.494 355 K N 4.042 123.946 120.400 -0.828 0.000 2.414 355 K HA 0.305 4.628 4.320 0.004 0.000 0.204 355 K C 0.526 176.709 176.600 -0.694 0.000 1.026 355 K CA 0.112 56.058 56.287 -0.568 0.000 1.108 355 K CB 0.773 33.075 32.500 -0.331 0.000 0.855 355 K HN 0.797 nan 8.250 nan 0.000 0.517 356 G N -0.108 107.806 108.800 -1.476 0.000 2.508 356 G HA2 0.023 3.985 3.960 0.004 0.000 0.278 356 G HA3 0.023 3.985 3.960 0.004 0.000 0.278 356 G C 0.303 175.125 174.900 -0.129 0.000 1.389 356 G CA -0.496 44.152 45.100 -0.755 0.000 1.050 356 G HN 0.239 nan 8.290 nan 0.000 0.522 357 N N -0.798 117.988 118.700 0.144 0.000 2.409 357 N HA 0.113 4.855 4.740 0.004 0.000 0.174 357 N C 1.499 177.213 175.510 0.339 0.000 1.037 357 N CA 0.164 53.335 53.050 0.202 0.000 0.898 357 N CB 0.266 38.843 38.487 0.149 0.000 1.010 357 N HN 0.518 nan 8.380 nan 0.000 0.445 358 G N 0.640 109.714 108.800 0.457 0.000 2.631 358 G HA2 0.344 4.307 3.960 0.004 0.000 0.271 358 G HA3 0.344 4.307 3.960 0.004 0.000 0.271 358 G C -0.428 174.703 174.900 0.386 0.000 1.302 358 G CA -0.222 45.093 45.100 0.360 0.000 1.002 358 G HN 0.268 nan 8.290 nan 0.000 0.519 359 F N -2.705 117.281 119.950 0.060 0.000 2.662 359 F HA 0.556 5.085 4.527 0.004 0.000 0.312 359 F C -0.732 175.080 175.800 0.021 0.000 1.113 359 F CA -1.751 56.280 58.000 0.052 0.000 0.951 359 F CB 1.559 40.607 39.000 0.080 0.000 1.344 359 F HN 0.396 nan 8.300 nan 0.000 0.462 360 N N 3.430 122.189 118.700 0.099 0.000 2.401 360 N HA 0.316 5.059 4.740 0.004 0.000 0.255 360 N C -1.696 173.897 175.510 0.139 0.000 1.110 360 N CA -2.776 50.291 53.050 0.029 0.000 0.949 360 N CB 0.953 39.504 38.487 0.106 0.000 1.110 360 N HN 0.437 nan 8.380 nan 0.000 0.490 361 P HA -0.100 nan 4.420 nan 0.000 0.226 361 P C 0.205 177.653 177.300 0.247 0.000 1.146 361 P CA 0.826 64.046 63.100 0.201 0.000 0.773 361 P CB 0.205 31.962 31.700 0.096 0.000 0.772 362 A N 0.136 123.053 122.820 0.162 0.000 2.423 362 A HA 0.057 4.379 4.320 0.004 0.000 0.246 362 A C 2.065 179.710 177.584 0.103 0.000 1.278 362 A CA -0.144 51.962 52.037 0.116 0.000 0.903 362 A CB -0.723 18.337 19.000 0.100 0.000 0.997 362 A HN 0.257 nan 8.150 nan 0.000 0.510 363 E N -0.095 120.199 120.200 0.156 0.000 2.171 363 E HA -0.168 4.185 4.350 0.004 0.000 0.197 363 E C 1.410 178.072 176.600 0.102 0.000 0.997 363 E CA 1.482 57.965 56.400 0.138 0.000 0.810 363 E CB -0.440 29.362 29.700 0.169 0.000 0.738 363 E HN 0.361 nan 8.360 nan 0.000 0.467 364 G N 0.799 109.656 108.800 0.095 0.000 3.141 364 G HA2 0.045 4.007 3.960 0.004 0.000 0.218 364 G HA3 0.045 4.007 3.960 0.004 0.000 0.218 364 G C 1.235 176.157 174.900 0.038 0.000 1.170 364 G CA -0.043 45.095 45.100 0.062 0.000 0.769 364 G HN 0.169 nan 8.290 nan 0.000 0.546 365 L N 0.636 121.878 121.223 0.032 0.000 2.021 365 L HA -0.114 4.229 4.340 0.004 0.000 0.215 365 L C 2.477 179.364 176.870 0.029 0.000 1.074 365 L CA 1.565 56.408 54.840 0.005 0.000 0.760 365 L CB -0.348 41.675 42.059 -0.059 0.000 0.889 365 L HN 0.247 nan 8.230 nan 0.000 0.433 366 I N -0.501 120.085 120.570 0.027 0.000 2.286 366 I HA -0.303 3.869 4.170 0.004 0.000 0.248 366 I C 2.129 178.183 176.117 -0.105 0.000 1.115 366 I CA 1.701 62.913 61.300 -0.146 0.000 1.392 366 I CB -0.406 37.451 38.000 -0.238 0.000 1.065 366 I HN 0.428 nan 8.210 nan 0.000 0.418 367 N N -0.376 118.299 118.700 -0.041 0.000 2.171 367 N HA -0.201 4.542 4.740 0.004 0.000 0.184 367 N C 1.747 177.257 175.510 0.001 0.000 1.021 367 N CA 0.851 53.891 53.050 -0.016 0.000 0.854 367 N CB -0.100 38.390 38.487 0.005 0.000 0.994 367 N HN 0.251 nan 8.380 nan 0.000 0.426 368 E N 1.463 121.663 120.200 0.000 0.000 2.058 368 E HA -0.117 4.236 4.350 0.004 0.000 0.194 368 E C 1.856 178.447 176.600 -0.015 0.000 0.997 368 E CA 0.975 57.376 56.400 0.000 0.000 0.801 368 E CB -0.189 29.507 29.700 -0.006 0.000 0.746 368 E HN 0.289 nan 8.360 nan 0.000 0.450 369 L N -0.449 120.755 121.223 -0.032 0.000 2.017 369 L HA -0.185 4.157 4.340 0.004 0.000 0.208 369 L C 2.463 179.346 176.870 0.022 0.000 1.073 369 L CA 1.180 55.986 54.840 -0.056 0.000 0.745 369 L CB -0.599 41.416 42.059 -0.074 0.000 0.894 369 L HN 0.195 nan 8.230 nan 0.000 0.432 370 A N 0.296 123.140 122.820 0.041 0.000 1.940 370 A HA -0.167 4.155 4.320 0.004 0.000 0.219 370 A C 2.386 180.058 177.584 0.148 0.000 1.176 370 A CA 1.884 53.984 52.037 0.104 0.000 0.631 370 A CB -1.285 17.735 19.000 0.033 0.000 0.814 370 A HN 0.470 nan 8.150 nan 0.000 0.446 371 G N -0.583 108.283 108.800 0.109 0.000 2.421 371 G HA2 0.005 3.967 3.960 0.004 0.000 0.216 371 G HA3 0.005 3.967 3.960 0.004 0.000 0.216 371 G C 1.791 176.814 174.900 0.204 0.000 1.171 371 G CA 1.496 46.701 45.100 0.175 0.000 0.775 371 G HN 0.833 nan 8.290 nan 0.000 0.543 372 A N 0.203 123.056 122.820 0.055 0.000 1.917 372 A HA -0.127 4.195 4.320 0.004 0.000 0.219 372 A C 2.235 179.779 177.584 -0.066 0.000 1.182 372 A CA 1.617 53.622 52.037 -0.052 0.000 0.633 372 A CB -0.790 18.068 19.000 -0.237 0.000 0.819 372 A HN 0.570 nan 8.150 nan 0.000 0.448 373 W N -0.234 121.033 121.300 -0.055 0.000 2.388 373 W HA -0.049 4.613 4.660 0.004 0.000 0.294 373 W C 2.374 178.962 176.519 0.115 0.000 1.212 373 W CA 1.202 58.462 57.345 -0.143 0.000 1.271 373 W CB 0.026 29.320 29.460 -0.276 0.000 1.126 373 W HN 0.234 nan 8.180 nan 0.000 0.535 374 K N -0.723 119.894 120.400 0.361 0.000 2.097 374 K HA -0.176 4.146 4.320 0.004 0.000 0.206 374 K C 0.936 177.534 176.600 -0.005 0.000 1.049 374 K CA 1.378 57.767 56.287 0.170 0.000 0.933 374 K CB -0.376 32.116 32.500 -0.012 0.000 0.717 374 K HN 0.254 nan 8.250 nan 0.000 0.442 375 H N -0.245 118.907 119.070 0.136 0.000 2.517 375 H HA 0.086 4.644 4.556 0.004 0.000 0.282 375 H C 0.427 175.798 175.328 0.071 0.000 1.023 375 H CA -0.204 55.887 56.048 0.071 0.000 1.169 375 H CB 0.276 30.070 29.762 0.054 0.000 1.454 375 H HN 0.105 nan 8.280 nan 0.000 0.556 376 S N -0.355 115.454 115.700 0.181 0.000 2.686 376 S HA 0.313 4.786 4.470 0.004 0.000 0.270 376 S C 0.884 175.577 174.600 0.155 0.000 1.194 376 S CA -0.900 57.386 58.200 0.144 0.000 0.990 376 S CB 1.701 64.932 63.200 0.052 0.000 1.029 376 S HN 0.129 nan 8.310 nan 0.000 0.560 377 R N 0.238 120.793 120.500 0.092 0.000 2.609 377 R HA 0.517 4.859 4.340 0.004 0.000 0.326 377 R C 0.354 176.806 176.300 0.254 0.000 1.090 377 R CA -0.038 56.122 56.100 0.100 0.000 1.072 377 R CB -0.413 29.847 30.300 -0.067 0.000 1.330 377 R HN 0.774 nan 8.270 nan 0.000 0.572 378 A N 0.731 123.785 122.820 0.390 0.000 2.483 378 A HA 0.313 4.635 4.320 0.004 0.000 0.238 378 A C 0.190 178.002 177.584 0.381 0.000 1.070 378 A CA -0.216 52.076 52.037 0.426 0.000 0.770 378 A CB 0.306 19.314 19.000 0.013 0.000 1.008 378 A HN 0.241 nan 8.150 nan 0.000 0.497 379 R N 1.493 122.190 120.500 0.329 0.000 2.774 379 R HA 0.254 4.596 4.340 0.004 0.000 0.269 379 R C -1.706 174.820 176.300 0.378 0.000 1.068 379 R CA -0.912 55.366 56.100 0.297 0.000 1.180 379 R CB -0.153 30.301 30.300 0.256 0.000 1.077 379 R HN 0.486 nan 8.270 nan 0.000 0.513 380 P HA -0.131 nan 4.420 nan 0.000 0.218 380 P C -0.398 177.069 177.300 0.278 0.000 1.148 380 P CA 1.199 64.443 63.100 0.240 0.000 0.822 380 P CB 0.186 31.962 31.700 0.127 0.000 0.784 381 F N -0.109 119.915 119.950 0.124 0.000 2.426 381 F HA 0.420 4.949 4.527 0.004 0.000 0.348 381 F C -0.817 175.000 175.800 0.028 0.000 1.124 381 F CA -1.032 56.994 58.000 0.043 0.000 1.008 381 F CB 1.152 40.155 39.000 0.005 0.000 1.139 381 F HN -0.453 nan 8.300 nan 0.000 0.452 382 V N 5.629 125.294 119.914 -0.416 0.000 2.409 382 V HA 0.262 4.385 4.120 0.004 0.000 0.291 382 V C -0.707 175.181 176.094 -0.343 0.000 1.020 382 V CA -0.780 61.374 62.300 -0.242 0.000 0.848 382 V CB 1.300 32.872 31.823 -0.419 0.000 0.990 382 V HN 0.635 nan 8.190 nan 0.000 0.430 383 H N 4.085 123.168 119.070 0.020 0.000 2.580 383 H HA 0.520 5.078 4.556 0.004 0.000 0.322 383 H C -0.155 175.198 175.328 0.042 0.000 1.082 383 H CA -0.042 56.045 56.048 0.064 0.000 1.383 383 H CB 1.019 30.873 29.762 0.153 0.000 1.450 383 H HN 0.528 nan 8.280 nan 0.000 0.505 384 I N 4.468 125.102 120.570 0.108 0.000 2.304 384 I HA 0.164 4.336 4.170 0.004 0.000 0.291 384 I C -0.201 175.990 176.117 0.124 0.000 1.018 384 I CA -0.060 61.324 61.300 0.141 0.000 1.260 384 I CB 0.597 38.654 38.000 0.095 0.000 1.390 384 I HN 0.454 nan 8.210 nan 0.000 0.475 385 M N 7.541 127.195 119.600 0.090 0.000 2.061 385 M HA 0.340 4.823 4.480 0.004 0.000 0.346 385 M C -0.438 175.852 176.300 -0.016 0.000 1.112 385 M CA -0.438 54.931 55.300 0.115 0.000 1.021 385 M CB 1.237 33.950 32.600 0.188 0.000 1.530 385 M HN 0.552 nan 8.290 nan 0.000 0.437 386 Q N 0.814 120.578 119.800 -0.060 0.000 2.458 386 Q HA 0.602 4.945 4.340 0.004 0.000 0.282 386 Q C -1.378 174.385 176.000 -0.394 0.000 1.106 386 Q CA -1.112 54.482 55.803 -0.348 0.000 0.814 386 Q CB 2.022 30.636 28.738 -0.206 0.000 1.425 386 Q HN 0.421 nan 8.270 nan 0.000 0.437 387 D N 0.226 120.151 120.400 -0.791 0.000 2.387 387 D HA 0.156 4.799 4.640 0.004 0.000 0.251 387 D C -0.739 175.407 176.300 -0.258 0.000 1.141 387 D CA -0.441 53.171 54.000 -0.647 0.000 0.987 387 D CB 1.055 41.250 40.800 -1.008 0.000 1.116 387 D HN 0.434 nan 8.370 nan 0.000 0.491 388 K N 1.831 122.159 120.400 -0.120 0.000 2.187 388 K HA 0.181 4.503 4.320 0.004 0.000 0.242 388 K C -1.024 175.525 176.600 -0.086 0.000 1.179 388 K CA -0.237 56.008 56.287 -0.069 0.000 1.097 388 K CB 0.102 32.594 32.500 -0.014 0.000 1.634 388 K HN 0.261 nan 8.250 nan 0.000 0.335 389 D N 2.658 122.986 120.400 -0.121 0.000 2.686 389 D HA 0.027 4.670 4.640 0.004 0.000 0.249 389 D C 1.401 177.642 176.300 -0.100 0.000 1.260 389 D CA -0.497 53.436 54.000 -0.111 0.000 0.910 389 D CB 1.396 42.104 40.800 -0.154 0.000 1.323 389 D HN 0.193 nan 8.370 nan 0.000 0.561 390 I N 0.694 121.228 120.570 -0.060 0.000 2.502 390 I HA -0.244 3.929 4.170 0.004 0.000 0.258 390 I C 1.329 177.424 176.117 -0.038 0.000 1.172 390 I CA 1.479 62.759 61.300 -0.032 0.000 1.430 390 I CB -1.136 36.859 38.000 -0.009 0.000 1.086 390 I HN 0.376 nan 8.210 nan 0.000 0.440 391 E N 1.439 121.587 120.200 -0.086 0.000 2.204 391 E HA -0.170 4.183 4.350 0.004 0.000 0.194 391 E C 1.626 177.961 176.600 -0.441 0.000 0.989 391 E CA 1.136 57.445 56.400 -0.151 0.000 0.824 391 E CB -0.392 29.239 29.700 -0.114 0.000 0.756 391 E HN 0.669 nan 8.360 nan 0.000 0.477 392 E N 0.475 120.493 120.200 -0.303 0.000 2.400 392 E HA -0.006 4.346 4.350 0.004 0.000 0.195 392 E C 1.384 177.860 176.600 -0.207 0.000 1.012 392 E CA -0.057 56.166 56.400 -0.294 0.000 0.875 392 E CB 0.149 29.699 29.700 -0.249 0.000 0.859 392 E HN 0.179 nan 8.360 nan 0.000 0.498 393 N N 0.928 119.544 118.700 -0.141 0.000 2.036 393 N HA -0.230 4.513 4.740 0.004 0.000 0.195 393 N C 1.772 177.318 175.510 0.060 0.000 1.037 393 N CA 1.636 54.674 53.050 -0.020 0.000 0.855 393 N CB -0.537 37.973 38.487 0.038 0.000 1.033 393 N HN 0.426 nan 8.380 nan 0.000 0.423 394 Y N -0.984 119.375 120.300 0.099 0.000 2.293 394 Y HA -0.003 4.549 4.550 0.004 0.000 0.291 394 Y C 2.500 178.526 175.900 0.210 0.000 1.137 394 Y CA 1.349 59.537 58.100 0.147 0.000 1.202 394 Y CB -1.080 37.490 38.460 0.185 0.000 0.990 394 Y HN 0.152 nan 8.280 nan 0.000 0.537 395 H N 1.166 120.132 119.070 -0.174 0.000 2.293 395 H HA -0.087 4.472 4.556 0.004 0.000 0.300 395 H C 2.297 177.716 175.328 0.152 0.000 1.082 395 H CA 1.872 57.920 56.048 0.000 0.000 1.308 395 H CB -0.594 29.088 29.762 -0.134 0.000 1.375 395 H HN 0.404 nan 8.280 nan 0.000 0.495 396 A N 0.209 123.099 122.820 0.117 0.000 1.940 396 A HA -0.217 4.105 4.320 0.004 0.000 0.219 396 A C 2.299 179.882 177.584 -0.002 0.000 1.176 396 A CA 1.906 54.010 52.037 0.112 0.000 0.631 396 A CB -0.503 18.548 19.000 0.084 0.000 0.814 396 A HN 0.675 nan 8.150 nan 0.000 0.446 397 Q N -2.268 117.558 119.800 0.044 0.000 2.245 397 Q HA 0.003 4.346 4.340 0.004 0.000 0.201 397 Q C 1.780 177.768 176.000 -0.021 0.000 0.955 397 Q CA 1.037 56.835 55.803 -0.007 0.000 0.870 397 Q CB -0.174 28.596 28.738 0.054 0.000 0.945 397 Q HN 0.763 nan 8.270 nan 0.000 0.461 398 F N 0.759 120.662 119.950 -0.078 0.000 2.134 398 F HA -0.216 4.313 4.527 0.004 0.000 0.299 398 F C 2.099 177.749 175.800 -0.250 0.000 1.097 398 F CA 1.218 59.161 58.000 -0.096 0.000 1.264 398 F CB 0.049 39.058 39.000 0.016 0.000 1.001 398 F HN 0.051 nan 8.300 nan 0.000 0.479 399 M N 0.796 120.222 119.600 -0.290 0.000 2.175 399 M HA -0.130 4.353 4.480 0.004 0.000 0.264 399 M C 2.183 178.067 176.300 -0.693 0.000 1.063 399 M CA 1.754 56.663 55.300 -0.652 0.000 1.119 399 M CB -0.801 31.057 32.600 -1.236 0.000 1.377 399 M HN 0.357 nan 8.290 nan 0.000 0.415 400 E N -0.760 119.090 120.200 -0.583 0.000 2.110 400 E HA -0.299 4.053 4.350 0.004 0.000 0.193 400 E C 2.029 178.171 176.600 -0.763 0.000 0.988 400 E CA 1.503 57.485 56.400 -0.697 0.000 0.804 400 E CB -0.177 29.170 29.700 -0.589 0.000 0.745 400 E HN 0.738 nan 8.360 nan 0.000 0.458 401 Q N -0.120 119.353 119.800 -0.546 0.000 2.084 401 Q HA -0.183 4.159 4.340 0.004 0.000 0.202 401 Q C 2.006 177.781 176.000 -0.375 0.000 0.978 401 Q CA 1.644 57.203 55.803 -0.407 0.000 0.844 401 Q CB -0.173 28.343 28.738 -0.370 0.000 0.898 401 Q HN 0.354 nan 8.270 nan 0.000 0.426 402 A N 0.366 122.905 122.820 -0.470 0.000 1.898 402 A HA -0.128 4.194 4.320 0.004 0.000 0.216 402 A C 2.018 179.429 177.584 -0.289 0.000 1.181 402 A CA 1.050 52.890 52.037 -0.328 0.000 0.620 402 A CB -0.668 18.160 19.000 -0.286 0.000 0.819 402 A HN 0.441 nan 8.150 nan 0.000 0.442 403 L N -1.355 119.533 121.223 -0.558 0.000 2.046 403 L HA -0.234 4.109 4.340 0.004 0.000 0.208 403 L C 2.555 179.348 176.870 -0.127 0.000 1.077 403 L CA 1.685 56.156 54.840 -0.616 0.000 0.747 403 L CB -0.656 40.827 42.059 -0.960 0.000 0.896 403 L HN 0.548 nan 8.230 nan 0.000 0.432 404 H N -1.331 117.587 119.070 -0.254 0.000 2.353 404 H HA -0.226 4.333 4.556 0.004 0.000 0.300 404 H C 2.294 177.541 175.328 -0.135 0.000 1.090 404 H CA 1.236 57.176 56.048 -0.180 0.000 1.327 404 H CB 0.211 29.863 29.762 -0.182 0.000 1.383 404 H HN 0.383 nan 8.280 nan 0.000 0.508 405 Q N 0.766 120.565 119.800 -0.001 0.000 2.170 405 Q HA -0.090 4.252 4.340 0.004 0.000 0.203 405 Q C 2.012 178.001 176.000 -0.018 0.000 0.976 405 Q CA 1.065 56.850 55.803 -0.029 0.000 0.858 405 Q CB 0.046 28.751 28.738 -0.054 0.000 0.907 405 Q HN 0.419 nan 8.270 nan 0.000 0.433 406 A N -0.570 122.268 122.820 0.029 0.000 2.238 406 A HA 0.305 4.627 4.320 0.004 0.000 0.208 406 A C 1.358 178.863 177.584 -0.132 0.000 1.177 406 A CA 0.737 52.816 52.037 0.070 0.000 0.804 406 A CB -0.394 18.812 19.000 0.343 0.000 0.823 406 A HN 0.625 nan 8.150 nan 0.000 0.482 407 G N -1.934 106.775 108.800 -0.152 0.000 2.157 407 G HA2 -0.248 3.715 3.960 0.004 0.000 0.248 407 G HA3 -0.248 3.715 3.960 0.004 0.000 0.248 407 G C -0.066 174.579 174.900 -0.426 0.000 0.979 407 G CA 0.188 45.106 45.100 -0.303 0.000 0.650 407 G HN 0.347 nan 8.290 nan 0.000 0.529 408 F N 1.106 120.953 119.950 -0.172 0.000 2.377 408 F HA 0.612 5.141 4.527 0.003 0.000 0.328 408 F C 0.942 176.611 175.800 -0.218 0.000 1.094 408 F CA -0.761 57.111 58.000 -0.213 0.000 1.093 408 F CB 0.847 39.646 39.000 -0.335 0.000 1.214 408 F HN 0.047 nan 8.300 nan 0.000 0.518 409 E N 0.429 120.576 120.200 -0.089 0.000 2.266 409 E HA 0.512 4.864 4.350 0.004 0.000 0.277 409 E C -0.486 175.653 176.600 -0.768 0.000 1.018 409 E CA -0.563 55.666 56.400 -0.285 0.000 0.840 409 E CB 1.599 31.264 29.700 -0.059 0.000 1.082 409 E HN 0.692 nan 8.360 nan 0.000 0.395 410 T N 0.150 114.278 114.554 -0.710 0.000 2.841 410 T HA 0.648 5.000 4.350 0.004 0.000 0.296 410 T C -0.825 173.532 174.700 -0.572 0.000 1.166 410 T CA -1.141 60.464 62.100 -0.826 0.000 1.007 410 T CB 1.923 70.546 68.868 -0.408 0.000 1.253 410 T HN 0.478 nan 8.240 nan 0.000 0.511 411 R N 0.894 121.149 120.500 -0.409 0.000 2.535 411 R HA 0.591 4.934 4.340 0.004 0.000 0.274 411 R C -1.580 174.716 176.300 -0.007 0.000 1.090 411 R CA -0.818 55.247 56.100 -0.059 0.000 0.930 411 R CB 1.433 31.824 30.300 0.151 0.000 1.223 411 R HN 0.780 nan 8.270 nan 0.000 0.441 412 I N 6.095 126.682 120.570 0.027 0.000 2.325 412 I HA 0.232 4.405 4.170 0.004 0.000 0.291 412 I C -0.116 176.051 176.117 0.084 0.000 1.019 412 I CA -0.651 60.676 61.300 0.045 0.000 1.302 412 I CB 1.206 39.215 38.000 0.015 0.000 1.401 412 I HN 0.409 nan 8.210 nan 0.000 0.485 413 L N 7.270 128.559 121.223 0.110 0.000 2.276 413 L HA 0.466 4.808 4.340 0.004 0.000 0.286 413 L C 0.187 177.104 176.870 0.077 0.000 1.061 413 L CA -0.596 54.306 54.840 0.104 0.000 0.807 413 L CB 0.522 42.653 42.059 0.120 0.000 1.177 413 L HN 0.494 nan 8.230 nan 0.000 0.429 414 R N 3.145 123.681 120.500 0.059 0.000 2.275 414 R HA 0.545 4.887 4.340 0.004 0.000 0.326 414 R C 0.296 176.638 176.300 0.070 0.000 0.973 414 R CA -0.097 56.027 56.100 0.039 0.000 0.854 414 R CB 1.596 31.905 30.300 0.016 0.000 1.156 414 R HN 0.930 nan 8.270 nan 0.000 0.487 415 G N 1.496 110.379 108.800 0.139 0.000 2.741 415 G HA2 -0.275 3.687 3.960 0.004 0.000 0.222 415 G HA3 -0.275 3.687 3.960 0.004 0.000 0.222 415 G C 0.252 175.231 174.900 0.132 0.000 1.364 415 G CA -0.595 44.623 45.100 0.197 0.000 0.866 415 G HN 0.527 nan 8.290 nan 0.000 0.555 416 L N -0.491 120.760 121.223 0.047 0.000 2.664 416 L HA 0.256 4.598 4.340 0.004 0.000 0.233 416 L C 2.046 178.865 176.870 -0.084 0.000 1.113 416 L CA 0.555 55.359 54.840 -0.059 0.000 0.896 416 L CB 0.181 42.154 42.059 -0.142 0.000 1.163 416 L HN 0.598 nan 8.230 nan 0.000 0.497 417 D N 1.093 121.467 120.400 -0.043 0.000 2.158 417 D HA -0.281 4.361 4.640 0.004 0.000 0.197 417 D C 2.018 178.283 176.300 -0.058 0.000 0.995 417 D CA 1.513 55.484 54.000 -0.049 0.000 0.846 417 D CB 0.190 40.979 40.800 -0.019 0.000 0.941 417 D HN 0.419 nan 8.370 nan 0.000 0.456 418 E N -0.058 120.116 120.200 -0.044 0.000 2.347 418 E HA -0.083 4.270 4.350 0.004 0.000 0.196 418 E C 0.039 176.586 176.600 -0.089 0.000 1.008 418 E CA 0.118 56.492 56.400 -0.043 0.000 0.852 418 E CB 0.056 29.751 29.700 -0.008 0.000 0.783 418 E HN 0.273 nan 8.360 nan 0.000 0.505 419 L N 0.923 122.058 121.223 -0.147 0.000 2.397 419 L HA 0.461 4.804 4.340 0.004 0.000 0.271 419 L C 0.641 177.323 176.870 -0.313 0.000 1.148 419 L CA 0.039 54.731 54.840 -0.247 0.000 0.825 419 L CB 1.382 43.251 42.059 -0.316 0.000 1.117 419 L HN 0.138 nan 8.230 nan 0.000 0.456 420 G N 1.632 110.224 108.800 -0.345 0.000 2.682 420 G HA2 0.491 4.454 3.960 0.004 0.000 0.290 420 G HA3 0.491 4.454 3.960 0.004 0.000 0.290 420 G C -2.192 172.545 174.900 -0.271 0.000 1.425 420 G CA -0.493 44.424 45.100 -0.306 0.000 0.807 420 G HN 0.390 nan 8.290 nan 0.000 0.482 421 W N 0.841 122.140 121.300 -0.003 0.000 2.689 421 W HA 0.383 5.045 4.660 0.004 0.000 0.340 421 W C -0.326 176.194 176.519 0.003 0.000 1.060 421 W CA -0.407 56.938 57.345 -0.001 0.000 1.218 421 W CB 2.096 31.562 29.460 0.010 0.000 1.410 421 W HN 0.799 nan 8.180 nan 0.000 0.528 422 D N -0.051 120.498 120.400 0.248 0.000 2.447 422 D HA 0.341 4.984 4.640 0.004 0.000 0.265 422 D C 1.172 177.537 176.300 0.109 0.000 1.250 422 D CA -0.323 53.759 54.000 0.136 0.000 1.046 422 D CB 0.046 40.898 40.800 0.087 0.000 1.095 422 D HN 0.251 nan 8.370 nan 0.000 0.555 423 A N -0.453 122.403 122.820 0.060 0.000 1.972 423 A HA 0.061 4.384 4.320 0.004 0.000 0.219 423 A C 2.109 179.694 177.584 0.003 0.000 1.169 423 A CA 2.165 54.218 52.037 0.028 0.000 0.635 423 A CB -1.258 17.753 19.000 0.018 0.000 0.810 423 A HN 0.677 nan 8.150 nan 0.000 0.446 424 A N -2.141 120.686 122.820 0.013 0.000 2.208 424 A HA 0.417 4.740 4.320 0.004 0.000 0.209 424 A C 1.700 179.272 177.584 -0.019 0.000 1.161 424 A CA 1.235 53.269 52.037 -0.004 0.000 0.782 424 A CB -0.668 18.338 19.000 0.011 0.000 0.816 424 A HN 1.884 nan 8.150 nan 0.000 0.477 425 G N -1.150 107.650 108.800 0.001 0.000 2.134 425 G HA2 -0.189 3.773 3.960 0.004 0.000 0.209 425 G HA3 -0.189 3.773 3.960 0.004 0.000 0.209 425 G C -0.081 174.925 174.900 0.178 0.000 0.993 425 G CA 0.058 45.134 45.100 -0.040 0.000 0.669 425 G HN 0.557 nan 8.290 nan 0.000 0.519 426 Q N -0.579 119.339 119.800 0.197 0.000 2.327 426 Q HA 0.523 4.865 4.340 0.004 0.000 0.254 426 Q C 0.112 176.269 176.000 0.262 0.000 0.952 426 Q CA -0.661 55.260 55.803 0.197 0.000 0.884 426 Q CB 1.668 30.471 28.738 0.108 0.000 1.224 426 Q HN 0.298 nan 8.270 nan 0.000 0.422 427 L N 5.040 126.368 121.223 0.174 0.000 2.369 427 L HA 0.310 4.652 4.340 0.004 0.000 0.279 427 L C -0.609 176.216 176.870 -0.075 0.000 1.108 427 L CA 0.429 55.267 54.840 -0.003 0.000 0.852 427 L CB 0.047 42.083 42.059 -0.038 0.000 1.169 427 L HN 0.462 nan 8.230 nan 0.000 0.452 428 I N 1.119 121.613 120.570 -0.126 0.000 2.785 428 I HA 0.647 4.820 4.170 0.004 0.000 0.302 428 I C -0.677 175.345 176.117 -0.159 0.000 1.069 428 I CA -0.963 60.270 61.300 -0.111 0.000 1.045 428 I CB 1.958 39.931 38.000 -0.045 0.000 1.236 428 I HN 0.551 nan 8.210 nan 0.000 0.429 429 D N 3.074 123.395 120.400 -0.132 0.000 2.478 429 D HA 0.238 4.881 4.640 0.004 0.000 0.269 429 D C 1.329 177.608 176.300 -0.036 0.000 1.232 429 D CA -0.267 53.676 54.000 -0.096 0.000 1.059 429 D CB 0.675 41.475 40.800 -0.000 0.000 1.104 429 D HN 0.758 nan 8.370 nan 0.000 0.566 430 G N -1.227 107.570 108.800 -0.005 0.000 2.501 430 G HA2 -0.257 3.705 3.960 0.004 0.000 0.220 430 G HA3 -0.257 3.705 3.960 0.004 0.000 0.220 430 G C 1.124 176.030 174.900 0.009 0.000 1.114 430 G CA 0.862 45.963 45.100 0.001 0.000 0.757 430 G HN 0.581 nan 8.290 nan 0.000 0.559 431 E N -0.592 119.618 120.200 0.017 0.000 2.501 431 E HA 0.351 4.703 4.350 0.004 0.000 0.200 431 E C 1.644 178.239 176.600 -0.008 0.000 1.016 431 E CA 0.515 56.920 56.400 0.008 0.000 0.921 431 E CB -0.299 29.410 29.700 0.015 0.000 1.034 431 E HN 0.273 nan 8.360 nan 0.000 0.468 432 G N 1.424 110.217 108.800 -0.012 0.000 2.184 432 G HA2 -0.414 3.549 3.960 0.004 0.000 0.264 432 G HA3 -0.414 3.549 3.960 0.004 0.000 0.264 432 G C 0.393 175.276 174.900 -0.029 0.000 0.975 432 G CA 0.503 45.593 45.100 -0.017 0.000 0.642 432 G HN 0.410 nan 8.290 nan 0.000 0.536 433 R N 0.211 120.688 120.500 -0.038 0.000 2.490 433 R HA 0.571 4.913 4.340 0.004 0.000 0.280 433 R C 0.674 176.947 176.300 -0.045 0.000 1.077 433 R CA -0.699 55.361 56.100 -0.066 0.000 1.065 433 R CB 0.196 30.414 30.300 -0.137 0.000 1.003 433 R HN 0.204 nan 8.270 nan 0.000 0.470 434 L N 4.113 125.315 121.223 -0.035 0.000 2.410 434 L HA 0.149 4.491 4.340 0.004 0.000 0.273 434 L C -0.436 176.439 176.870 0.008 0.000 1.152 434 L CA -0.384 54.448 54.840 -0.014 0.000 0.855 434 L CB 1.317 43.384 42.059 0.013 0.000 1.129 434 L HN 0.441 nan 8.230 nan 0.000 0.463 435 V N 3.790 123.657 119.914 -0.079 0.000 2.333 435 V HA 0.189 4.311 4.120 0.004 0.000 0.274 435 V C 0.232 176.341 176.094 0.025 0.000 1.028 435 V CA -0.352 61.870 62.300 -0.130 0.000 0.851 435 V CB 1.063 32.649 31.823 -0.394 0.000 1.000 435 V HN 0.960 nan 8.190 nan 0.000 0.456 436 N N 2.192 120.977 118.700 0.142 0.000 2.143 436 N HA 0.165 4.908 4.740 0.004 0.000 0.229 436 N C -0.476 175.145 175.510 0.186 0.000 1.294 436 N CA -0.200 52.934 53.050 0.140 0.000 0.883 436 N CB 0.724 39.289 38.487 0.130 0.000 1.148 436 N HN 0.456 nan 8.380 nan 0.000 0.511 437 C N 1.150 120.598 119.300 0.248 0.000 2.705 437 C HA 0.771 5.233 4.460 0.004 0.000 0.369 437 C C -1.011 174.157 174.990 0.296 0.000 1.069 437 C CA -0.589 58.596 59.018 0.279 0.000 1.260 437 C CB 0.067 27.986 27.740 0.298 0.000 1.764 437 C HN 0.273 nan 8.230 nan 0.000 0.469 438 V N 3.535 123.624 119.914 0.292 0.000 2.876 438 V HA 0.879 5.001 4.120 0.004 0.000 0.312 438 V C -1.212 175.099 176.094 0.362 0.000 1.085 438 V CA -0.586 61.874 62.300 0.266 0.000 0.945 438 V CB 1.921 33.834 31.823 0.150 0.000 1.017 438 V HN 1.020 nan 8.190 nan 0.000 0.428 439 W N 5.745 127.119 121.300 0.123 0.000 2.475 439 W HA 0.766 5.428 4.660 0.003 0.000 0.317 439 W C -0.285 176.272 176.519 0.063 0.000 1.046 439 W CA -0.633 56.806 57.345 0.157 0.000 1.215 439 W CB 1.689 31.183 29.460 0.058 0.000 1.335 439 W HN 0.907 nan 8.180 nan 0.000 0.471 440 K N 2.151 122.038 120.400 -0.855 0.000 2.281 440 K HA 0.625 4.947 4.320 0.004 0.000 0.242 440 K C 0.372 176.278 176.600 -1.157 0.000 0.971 440 K CA -0.385 55.452 56.287 -0.752 0.000 0.834 440 K CB 2.031 34.301 32.500 -0.383 0.000 1.181 440 K HN 0.418 nan 8.250 nan 0.000 0.435 441 T N -3.083 111.017 114.554 -0.757 0.000 3.022 441 T HA 0.130 4.483 4.350 0.004 0.000 0.250 441 T C -0.164 174.283 174.700 -0.423 0.000 1.060 441 T CA -0.531 61.218 62.100 -0.585 0.000 1.013 441 T CB -0.275 68.344 68.868 -0.416 0.000 0.982 441 T HN 0.537 nan 8.240 nan 0.000 0.508 442 W N 2.423 123.498 121.300 -0.375 0.000 2.181 442 W HA 0.621 5.283 4.660 0.004 0.000 0.335 442 W C 0.695 177.003 176.519 -0.352 0.000 1.310 442 W CA -0.796 56.363 57.345 -0.311 0.000 1.226 442 W CB 0.341 29.611 29.460 -0.315 0.000 1.155 442 W HN 0.221 nan 8.180 nan 0.000 0.565 443 A N 3.195 126.014 122.820 -0.002 0.000 2.388 443 A HA 0.167 4.490 4.320 0.004 0.000 0.257 443 A C 0.364 177.853 177.584 -0.159 0.000 1.095 443 A CA -0.533 51.452 52.037 -0.087 0.000 0.791 443 A CB 0.182 19.165 19.000 -0.028 0.000 1.029 443 A HN 0.954 nan 8.150 nan 0.000 0.489 444 W N 0.573 121.711 121.300 -0.269 0.000 2.321 444 W HA -0.194 4.469 4.660 0.005 0.000 0.306 444 W C 2.023 178.067 176.519 -0.792 0.000 1.217 444 W CA 1.757 58.803 57.345 -0.497 0.000 1.257 444 W CB 0.098 29.171 29.460 -0.645 0.000 1.145 444 W HN 0.925 nan 8.180 nan 0.000 0.509 445 E N -0.192 119.751 120.200 -0.427 0.000 2.171 445 E HA -0.203 4.150 4.350 0.004 0.000 0.197 445 E C 1.883 178.459 176.600 -0.040 0.000 0.997 445 E CA 2.235 58.451 56.400 -0.306 0.000 0.810 445 E CB -0.560 29.093 29.700 -0.079 0.000 0.738 445 E HN 0.075 nan 8.360 nan 0.000 0.467 446 T N -0.202 114.344 114.554 -0.014 0.000 2.746 446 T HA -0.130 4.223 4.350 0.004 0.000 0.267 446 T C 1.794 176.506 174.700 0.020 0.000 1.039 446 T CA 1.547 63.675 62.100 0.046 0.000 1.142 446 T CB -0.457 68.467 68.868 0.094 0.000 0.866 446 T HN 0.362 nan 8.240 nan 0.000 0.444 447 A N 0.737 123.550 122.820 -0.012 0.000 1.930 447 A HA 0.091 4.413 4.320 0.004 0.000 0.217 447 A C 2.064 179.813 177.584 0.275 0.000 1.175 447 A CA 0.943 53.021 52.037 0.069 0.000 0.627 447 A CB -0.971 18.087 19.000 0.096 0.000 0.815 447 A HN 0.591 nan 8.150 nan 0.000 0.443 448 F N 0.107 120.131 119.950 0.124 0.000 2.216 448 F HA -0.213 4.317 4.527 0.004 0.000 0.300 448 F C 2.020 177.865 175.800 0.075 0.000 1.085 448 F CA 0.627 58.689 58.000 0.103 0.000 1.326 448 F CB -0.232 38.843 39.000 0.126 0.000 1.027 448 F HN 0.219 nan 8.300 nan 0.000 0.497 449 D N 0.286 120.844 120.400 0.263 0.000 2.182 449 D HA -0.178 4.465 4.640 0.004 0.000 0.201 449 D C 2.091 178.461 176.300 0.117 0.000 0.986 449 D CA 1.070 55.170 54.000 0.166 0.000 0.847 449 D CB -0.398 40.478 40.800 0.127 0.000 0.942 449 D HN 0.407 nan 8.370 nan 0.000 0.467 450 Q N -0.335 119.523 119.800 0.097 0.000 2.291 450 Q HA -0.030 4.313 4.340 0.004 0.000 0.205 450 Q C 2.194 178.232 176.000 0.063 0.000 0.970 450 Q CA 0.574 56.413 55.803 0.060 0.000 0.876 450 Q CB 0.199 28.951 28.738 0.022 0.000 0.935 450 Q HN 0.399 nan 8.270 nan 0.000 0.455 451 I N -0.218 120.394 120.570 0.071 0.000 2.480 451 I HA -0.149 4.023 4.170 0.004 0.000 0.251 451 I C 2.200 178.378 176.117 0.103 0.000 1.124 451 I CA 0.581 61.897 61.300 0.026 0.000 1.444 451 I CB -0.109 37.851 38.000 -0.067 0.000 1.098 451 I HN 0.042 nan 8.210 nan 0.000 0.428 452 R N 0.986 121.552 120.500 0.109 0.000 2.120 452 R HA -0.167 4.176 4.340 0.004 0.000 0.234 452 R C 2.048 178.409 176.300 0.103 0.000 1.123 452 R CA 1.237 57.405 56.100 0.113 0.000 0.975 452 R CB -0.208 30.160 30.300 0.114 0.000 0.866 452 R HN 0.397 nan 8.270 nan 0.000 0.446 453 E N -0.023 120.232 120.200 0.093 0.000 2.171 453 E HA -0.164 4.189 4.350 0.004 0.000 0.197 453 E C 1.190 177.838 176.600 0.080 0.000 0.997 453 E CA 1.604 58.050 56.400 0.075 0.000 0.810 453 E CB 0.160 29.898 29.700 0.064 0.000 0.738 453 E HN 0.264 nan 8.360 nan 0.000 0.467 454 V N -1.872 118.111 119.914 0.116 0.000 3.006 454 V HA 0.242 4.365 4.120 0.004 0.000 0.357 454 V C 1.461 177.642 176.094 0.144 0.000 1.377 454 V CA 0.331 62.706 62.300 0.125 0.000 1.198 454 V CB 0.528 32.445 31.823 0.158 0.000 1.216 454 V HN 0.101 nan 8.190 nan 0.000 0.520 455 S N 3.065 118.836 115.700 0.120 0.000 2.400 455 S HA -0.306 4.167 4.470 0.004 0.000 0.234 455 S C 1.534 176.084 174.600 -0.084 0.000 1.049 455 S CA 2.664 60.910 58.200 0.077 0.000 1.039 455 S CB -0.518 62.716 63.200 0.057 0.000 0.856 455 S HN 0.974 nan 8.310 nan 0.000 0.465 456 D N -0.388 119.961 120.400 -0.084 0.000 2.336 456 D HA 0.119 4.761 4.640 0.004 0.000 0.229 456 D C 0.636 176.817 176.300 -0.200 0.000 1.061 456 D CA 0.003 53.924 54.000 -0.131 0.000 0.875 456 D CB -0.324 40.432 40.800 -0.074 0.000 0.904 456 D HN 0.208 nan 8.370 nan 0.000 0.525 457 R N 0.502 120.834 120.500 -0.279 0.000 2.531 457 R HA 0.311 4.654 4.340 0.004 0.000 0.273 457 R C 0.333 176.272 176.300 -0.601 0.000 1.070 457 R CA -0.241 55.669 56.100 -0.317 0.000 1.112 457 R CB 0.454 30.648 30.300 -0.177 0.000 1.049 457 R HN -0.093 nan 8.270 nan 0.000 0.508 458 E N 3.149 123.114 120.200 -0.391 0.000 2.280 458 E HA 0.084 4.437 4.350 0.004 0.000 0.279 458 E C -0.723 175.725 176.600 -0.254 0.000 1.325 458 E CA -0.181 56.001 56.400 -0.363 0.000 1.486 458 E CB -0.430 29.158 29.700 -0.187 0.000 1.466 458 E HN 0.369 nan 8.360 nan 0.000 0.473 459 F N -1.485 118.443 119.950 -0.037 0.000 2.429 459 F HA 0.487 5.016 4.527 0.003 0.000 0.348 459 F C 1.257 177.033 175.800 -0.041 0.000 1.109 459 F CA -1.015 56.965 58.000 -0.035 0.000 1.232 459 F CB 0.894 39.876 39.000 -0.030 0.000 1.157 459 F HN 0.023 nan 8.300 nan 0.000 0.564 460 A N 2.381 125.336 122.820 0.226 0.000 2.275 460 A HA 0.692 5.014 4.320 0.004 0.000 0.212 460 A C 0.682 178.329 177.584 0.105 0.000 1.201 460 A CA 0.503 52.617 52.037 0.128 0.000 0.843 460 A CB -0.660 18.377 19.000 0.061 0.000 0.873 460 A HN 1.119 nan 8.150 nan 0.000 0.492 461 A N -1.737 121.145 122.820 0.104 0.000 2.581 461 A HA 0.560 4.883 4.320 0.004 0.000 0.290 461 A C -0.695 176.757 177.584 -0.220 0.000 1.119 461 A CA -0.466 51.553 52.037 -0.030 0.000 0.670 461 A CB 0.153 19.143 19.000 -0.017 0.000 1.280 461 A HN 0.401 nan 8.150 nan 0.000 0.425 462 V N 2.610 122.385 119.914 -0.231 0.000 2.509 462 V HA 0.177 4.300 4.120 0.004 0.000 0.297 462 V C -1.666 174.256 176.094 -0.286 0.000 1.014 462 V CA -0.041 62.055 62.300 -0.339 0.000 1.127 462 V CB 0.455 32.175 31.823 -0.171 0.000 0.925 462 V HN 0.663 nan 8.190 nan 0.000 0.480 463 P HA 0.188 nan 4.420 nan 0.000 0.241 463 P C -0.164 177.096 177.300 -0.067 0.000 1.760 463 P CA 0.001 63.000 63.100 -0.169 0.000 1.081 463 P CB -0.306 31.329 31.700 -0.108 0.000 1.975 464 I N -1.069 119.480 120.570 -0.035 0.000 2.677 464 I HA 0.497 4.670 4.170 0.004 0.000 0.305 464 I C 0.178 176.314 176.117 0.032 0.000 0.988 464 I CA -1.334 59.981 61.300 0.026 0.000 1.260 464 I CB 1.328 39.360 38.000 0.052 0.000 1.410 464 I HN -0.083 nan 8.210 nan 0.000 0.523 465 R N 2.073 122.626 120.500 0.088 0.000 2.428 465 R HA 0.414 4.757 4.340 0.004 0.000 0.294 465 R C -0.004 176.197 176.300 -0.164 0.000 1.000 465 R CA -0.402 55.674 56.100 -0.039 0.000 0.960 465 R CB 1.401 31.712 30.300 0.017 0.000 1.076 465 R HN 0.833 nan 8.270 nan 0.000 0.475 466 T N -1.980 112.281 114.554 -0.489 0.000 3.182 466 T HA 0.371 4.723 4.350 0.004 0.000 0.277 466 T C 0.433 174.370 174.700 -1.272 0.000 1.013 466 T CA -0.422 61.286 62.100 -0.654 0.000 0.900 466 T CB 0.795 69.495 68.868 -0.280 0.000 1.098 466 T HN 0.795 nan 8.240 nan 0.000 0.543 467 G N 0.167 107.931 108.800 -1.727 0.000 2.384 467 G HA2 0.448 4.410 3.960 0.004 0.000 0.300 467 G HA3 0.448 4.410 3.960 0.004 0.000 0.300 467 G C -2.297 172.195 174.900 -0.680 0.000 1.582 467 G CA -0.805 43.551 45.100 -1.241 0.000 0.875 467 G HN 0.453 nan 8.290 nan 0.000 0.628 468 H N 2.185 121.078 119.070 -0.296 0.000 3.123 468 H HA 0.380 4.938 4.556 0.004 0.000 0.346 468 H C -1.979 173.386 175.328 0.061 0.000 1.138 468 H CA -0.843 55.193 56.048 -0.019 0.000 1.273 468 H CB 3.103 32.999 29.762 0.223 0.000 1.926 468 H HN 0.375 nan 8.280 nan 0.000 0.524 469 P HA -0.178 nan 4.420 nan 0.000 0.216 469 P C 0.560 177.915 177.300 0.092 0.000 1.157 469 P CA 1.347 64.370 63.100 -0.128 0.000 0.880 469 P CB 0.492 32.054 31.700 -0.230 0.000 0.791 470 Q N -1.105 118.879 119.800 0.306 0.000 2.280 470 Q HA 0.168 4.511 4.340 0.004 0.000 0.202 470 Q C 0.099 176.309 176.000 0.350 0.000 0.903 470 Q CA -0.084 55.929 55.803 0.349 0.000 0.948 470 Q CB -1.057 27.886 28.738 0.342 0.000 1.058 470 Q HN 0.297 nan 8.270 nan 0.000 0.493 471 N N 1.100 120.082 118.700 0.470 0.000 2.727 471 N HA -0.228 4.514 4.740 0.004 0.000 0.249 471 N C -0.905 174.680 175.510 0.125 0.000 1.048 471 N CA 0.207 53.476 53.050 0.366 0.000 0.714 471 N CB -0.259 38.346 38.487 0.198 0.000 0.959 471 N HN 0.392 nan 8.380 nan 0.000 0.544 472 E N 1.116 121.293 120.200 -0.039 0.000 2.001 472 E HA 0.236 4.588 4.350 0.004 0.000 0.279 472 E C -0.535 175.944 176.600 -0.201 0.000 1.045 472 E CA -0.556 55.669 56.400 -0.291 0.000 0.833 472 E CB 0.712 30.062 29.700 -0.583 0.000 1.077 472 E HN 0.072 nan 8.360 nan 0.000 0.397 473 V N 5.972 125.670 119.914 -0.360 0.000 2.408 473 V HA 0.252 4.374 4.120 0.004 0.000 0.267 473 V C 0.540 176.476 176.094 -0.264 0.000 1.047 473 V CA -0.314 61.690 62.300 -0.493 0.000 0.937 473 V CB 0.668 32.038 31.823 -0.755 0.000 0.999 473 V HN 0.658 nan 8.190 nan 0.000 0.472 474 R N 2.686 123.099 120.500 -0.145 0.000 2.546 474 R HA 0.353 4.696 4.340 0.004 0.000 0.266 474 R C 1.176 177.337 176.300 -0.233 0.000 1.086 474 R CA -0.866 55.136 56.100 -0.165 0.000 1.160 474 R CB 0.549 30.796 30.300 -0.089 0.000 1.138 474 R HN 0.575 nan 8.270 nan 0.000 0.567 475 L N 1.748 122.763 121.223 -0.346 0.000 2.013 475 L HA -0.178 4.164 4.340 0.004 0.000 0.212 475 L C 1.918 178.619 176.870 -0.281 0.000 1.073 475 L CA 1.780 56.331 54.840 -0.481 0.000 0.753 475 L CB -0.528 41.079 42.059 -0.753 0.000 0.890 475 L HN 0.772 nan 8.230 nan 0.000 0.432 476 I N -0.618 119.854 120.570 -0.163 0.000 2.423 476 I HA -0.279 3.893 4.170 0.004 0.000 0.254 476 I C 1.369 177.488 176.117 0.004 0.000 1.151 476 I CA 1.481 62.758 61.300 -0.038 0.000 1.421 476 I CB -0.328 37.676 38.000 0.007 0.000 1.079 476 I HN 0.372 nan 8.210 nan 0.000 0.431 477 D N -0.177 120.222 120.400 -0.002 0.000 2.348 477 D HA -0.061 4.581 4.640 0.004 0.000 0.216 477 D C 1.990 178.312 176.300 0.036 0.000 0.970 477 D CA 0.847 54.901 54.000 0.089 0.000 0.889 477 D CB 0.391 41.306 40.800 0.192 0.000 0.912 477 D HN 0.327 nan 8.370 nan 0.000 0.524 478 V N 0.246 120.125 119.914 -0.060 0.000 2.721 478 V HA -0.012 4.111 4.120 0.004 0.000 0.236 478 V C 2.531 178.614 176.094 -0.019 0.000 1.116 478 V CA 0.185 62.443 62.300 -0.070 0.000 1.148 478 V CB -0.277 31.457 31.823 -0.149 0.000 0.886 478 V HN 0.066 nan 8.190 nan 0.000 0.490 479 L N 0.013 121.201 121.223 -0.057 0.000 2.079 479 L HA -0.131 4.212 4.340 0.004 0.000 0.210 479 L C 1.938 178.942 176.870 0.224 0.000 1.081 479 L CA 1.603 56.445 54.840 0.002 0.000 0.752 479 L CB -0.428 41.502 42.059 -0.215 0.000 0.896 479 L HN 0.306 nan 8.230 nan 0.000 0.433 480 L N -0.487 120.850 121.223 0.190 0.000 2.685 480 L HA 0.144 4.487 4.340 0.004 0.000 0.233 480 L C 0.769 177.709 176.870 0.116 0.000 1.173 480 L CA -0.180 54.770 54.840 0.184 0.000 0.961 480 L CB -0.068 42.086 42.059 0.159 0.000 1.217 480 L HN 0.097 nan 8.230 nan 0.000 0.478 481 R N 0.903 121.468 120.500 0.109 0.000 2.316 481 R HA 0.111 4.453 4.340 0.004 0.000 0.314 481 R C -1.370 174.987 176.300 0.095 0.000 1.069 481 R CA -1.541 54.618 56.100 0.097 0.000 0.959 481 R CB 0.965 31.324 30.300 0.099 0.000 0.987 481 R HN -0.095 nan 8.270 nan 0.000 0.446 482 P HA -0.232 nan 4.420 nan 0.000 0.217 482 P C 0.717 178.065 177.300 0.080 0.000 1.148 482 P CA 1.231 64.376 63.100 0.075 0.000 0.834 482 P CB 0.243 31.977 31.700 0.058 0.000 0.783 483 E N -0.460 119.788 120.200 0.080 0.000 2.474 483 E HA 0.025 4.378 4.350 0.004 0.000 0.195 483 E C -0.144 176.511 176.600 0.093 0.000 1.039 483 E CA 0.196 56.645 56.400 0.082 0.000 0.881 483 E CB -0.278 29.467 29.700 0.075 0.000 0.970 483 E HN 0.024 nan 8.360 nan 0.000 0.486 484 V N 2.516 122.489 119.914 0.097 0.000 2.432 484 V HA 0.145 4.268 4.120 0.004 0.000 0.275 484 V C -0.013 176.149 176.094 0.112 0.000 1.043 484 V CA -0.727 61.636 62.300 0.105 0.000 0.925 484 V CB 1.146 33.023 31.823 0.090 0.000 0.985 484 V HN 0.244 nan 8.190 nan 0.000 0.466 485 L N 7.839 129.135 121.223 0.121 0.000 2.268 485 L HA 0.466 4.809 4.340 0.004 0.000 0.289 485 L C -0.180 176.737 176.870 0.078 0.000 1.064 485 L CA 0.564 55.449 54.840 0.075 0.000 0.824 485 L CB 0.906 43.024 42.059 0.098 0.000 1.202 485 L HN 0.440 nan 8.230 nan 0.000 0.433 486 V N 5.531 125.467 119.914 0.037 0.000 2.617 486 V HA 0.492 4.614 4.120 0.004 0.000 0.298 486 V C -0.371 175.715 176.094 -0.013 0.000 1.048 486 V CA -0.364 61.998 62.300 0.104 0.000 0.964 486 V CB 1.531 33.457 31.823 0.172 0.000 1.004 486 V HN 0.509 nan 8.190 nan 0.000 0.466 487 F N 1.124 121.201 119.950 0.212 0.000 2.547 487 F HA 0.484 5.014 4.527 0.005 0.000 0.316 487 F C 0.370 176.212 175.800 0.069 0.000 1.121 487 F CA -0.838 57.310 58.000 0.247 0.000 0.911 487 F CB 1.676 40.960 39.000 0.474 0.000 1.179 487 F HN 0.371 nan 8.300 nan 0.000 0.443 488 E N 3.745 124.058 120.200 0.189 0.000 2.390 488 E HA 0.193 4.545 4.350 0.004 0.000 0.261 488 E C -2.325 174.414 176.600 0.231 0.000 1.076 488 E CA -1.782 54.748 56.400 0.217 0.000 0.905 488 E CB 0.186 29.932 29.700 0.078 0.000 0.984 488 E HN 0.154 nan 8.360 nan 0.000 0.427 489 P HA -0.043 nan 4.420 nan 0.000 0.270 489 P C 1.044 178.232 177.300 -0.186 0.000 1.223 489 P CA -0.303 62.760 63.100 -0.061 0.000 0.785 489 P CB 0.656 32.269 31.700 -0.146 0.000 0.923 490 L N 2.662 123.718 121.223 -0.279 0.000 2.043 490 L HA -0.141 4.201 4.340 0.004 0.000 0.212 490 L C 2.226 178.781 176.870 -0.525 0.000 1.075 490 L CA 1.737 56.069 54.840 -0.848 0.000 0.752 490 L CB -1.604 40.060 42.059 -0.659 0.000 0.891 490 L HN 0.576 nan 8.230 nan 0.000 0.432 491 W N -0.760 120.443 121.300 -0.160 0.000 2.421 491 W HA -0.172 4.491 4.660 0.005 0.000 0.270 491 W C 1.814 178.258 176.519 -0.125 0.000 1.233 491 W CA 1.162 58.434 57.345 -0.121 0.000 1.226 491 W CB -1.950 27.551 29.460 0.068 0.000 1.121 491 W HN 0.459 nan 8.180 nan 0.000 0.579 492 T N 0.225 114.343 114.554 -0.727 0.000 3.025 492 T HA -0.179 4.173 4.350 0.004 0.000 0.270 492 T C 1.858 176.420 174.700 -0.230 0.000 1.126 492 T CA 1.631 63.365 62.100 -0.610 0.000 1.105 492 T CB -0.995 67.472 68.868 -0.668 0.000 0.884 492 T HN 0.203 nan 8.240 nan 0.000 0.522 493 V N -0.893 118.914 119.914 -0.177 0.000 2.913 493 V HA 0.024 4.146 4.120 0.004 0.000 0.260 493 V C 2.263 178.364 176.094 0.011 0.000 1.098 493 V CA 0.618 62.887 62.300 -0.053 0.000 1.121 493 V CB -1.067 30.760 31.823 0.007 0.000 0.714 493 V HN 0.354 nan 8.190 nan 0.000 0.487 494 I N 1.285 121.824 120.570 -0.051 0.000 2.235 494 I HA 0.023 4.196 4.170 0.004 0.000 0.241 494 I C 0.357 176.534 176.117 0.100 0.000 1.085 494 I CA 1.237 62.468 61.300 -0.115 0.000 1.378 494 I CB -2.465 35.317 38.000 -0.363 0.000 1.076 494 I HN 0.346 nan 8.210 nan 0.000 0.415 495 P HA -0.056 nan 4.420 nan 0.000 0.226 495 P C 1.325 178.681 177.300 0.094 0.000 1.153 495 P CA 1.271 64.512 63.100 0.235 0.000 0.777 495 P CB -0.131 31.666 31.700 0.162 0.000 0.794 496 G N -0.598 108.194 108.800 -0.014 0.000 2.985 496 G HA2 -0.067 3.895 3.960 0.004 0.000 0.209 496 G HA3 -0.067 3.895 3.960 0.004 0.000 0.209 496 G C 0.577 175.512 174.900 0.058 0.000 1.165 496 G CA -0.072 45.004 45.100 -0.040 0.000 0.776 496 G HN 0.247 nan 8.290 nan 0.000 0.541 497 N N 0.572 119.379 118.700 0.179 0.000 2.417 497 N HA 0.187 4.929 4.740 0.004 0.000 0.274 497 N C 0.870 176.459 175.510 0.132 0.000 0.987 497 N CA -0.428 52.736 53.050 0.191 0.000 0.912 497 N CB 1.289 40.032 38.487 0.428 0.000 1.177 497 N HN -0.036 nan 8.380 nan 0.000 0.490 498 K N 2.017 122.422 120.400 0.007 0.000 2.519 498 K HA -0.060 4.262 4.320 0.004 0.000 0.196 498 K C 1.411 177.914 176.600 -0.161 0.000 1.041 498 K CA 0.803 57.061 56.287 -0.048 0.000 0.954 498 K CB 0.093 32.539 32.500 -0.090 0.000 0.774 498 K HN 0.572 nan 8.250 nan 0.000 0.480 499 A N 1.263 123.917 122.820 -0.277 0.000 2.121 499 A HA -0.099 4.223 4.320 0.004 0.000 0.218 499 A C 1.904 179.285 177.584 -0.339 0.000 1.154 499 A CA 0.778 52.554 52.037 -0.435 0.000 0.679 499 A CB -0.417 17.978 19.000 -1.009 0.000 0.795 499 A HN 0.329 nan 8.150 nan 0.000 0.458 500 I N -0.675 119.856 120.570 -0.065 0.000 3.111 500 I HA -0.106 4.066 4.170 0.004 0.000 0.272 500 I C 1.814 177.931 176.117 -0.001 0.000 1.268 500 I CA 0.453 61.858 61.300 0.176 0.000 1.467 500 I CB 0.001 38.208 38.000 0.344 0.000 1.087 500 I HN 0.332 nan 8.210 nan 0.000 0.467 501 L N 1.258 122.430 121.223 -0.085 0.000 2.027 501 L HA -0.103 4.240 4.340 0.004 0.000 0.206 501 L C -0.429 176.381 176.870 -0.099 0.000 1.074 501 L CA 1.332 56.111 54.840 -0.102 0.000 0.745 501 L CB -2.020 39.969 42.059 -0.116 0.000 0.898 501 L HN 0.195 nan 8.230 nan 0.000 0.433 502 P HA -0.142 nan 4.420 nan 0.000 0.218 502 P C 1.760 179.083 177.300 0.038 0.000 1.149 502 P CA 1.427 64.430 63.100 -0.163 0.000 0.817 502 P CB 0.066 31.453 31.700 -0.521 0.000 0.785 503 I N -1.619 118.973 120.570 0.037 0.000 2.353 503 I HA -0.182 3.990 4.170 0.004 0.000 0.248 503 I C 2.247 178.380 176.117 0.027 0.000 1.119 503 I CA 1.102 62.438 61.300 0.060 0.000 1.417 503 I CB -0.517 37.537 38.000 0.091 0.000 1.078 503 I HN -0.105 nan 8.210 nan 0.000 0.421 504 L N -0.262 120.982 121.223 0.035 0.000 2.093 504 L HA -0.234 4.108 4.340 0.004 0.000 0.208 504 L C 2.469 179.449 176.870 0.183 0.000 1.085 504 L CA 1.389 56.286 54.840 0.095 0.000 0.755 504 L CB -0.481 41.554 42.059 -0.040 0.000 0.904 504 L HN 0.536 nan 8.230 nan 0.000 0.435 505 W N -0.231 121.052 121.300 -0.028 0.000 2.388 505 W HA -0.218 4.445 4.660 0.004 0.000 0.294 505 W C 2.603 179.104 176.519 -0.030 0.000 1.212 505 W CA 1.528 58.857 57.345 -0.027 0.000 1.271 505 W CB 0.022 29.437 29.460 -0.074 0.000 1.126 505 W HN 0.159 nan 8.180 nan 0.000 0.535 506 S N 0.672 116.378 115.700 0.010 0.000 2.383 506 S HA -0.148 4.324 4.470 0.004 0.000 0.227 506 S C 1.937 176.411 174.600 -0.211 0.000 1.026 506 S CA 1.279 59.420 58.200 -0.098 0.000 0.981 506 S CB -0.402 62.790 63.200 -0.014 0.000 0.818 506 S HN 0.285 nan 8.310 nan 0.000 0.472 507 L N -0.688 120.379 121.223 -0.261 0.000 2.179 507 L HA 0.188 4.530 4.340 0.004 0.000 0.208 507 L C 0.023 176.436 176.870 -0.761 0.000 1.096 507 L CA 0.689 55.195 54.840 -0.557 0.000 0.779 507 L CB -0.061 41.535 42.059 -0.772 0.000 0.922 507 L HN 0.282 nan 8.230 nan 0.000 0.443 508 F N -0.012 119.852 119.950 -0.143 0.000 2.564 508 F HA 0.306 4.835 4.527 0.004 0.000 0.329 508 F C -2.212 173.381 175.800 -0.346 0.000 1.458 508 F CA -2.565 55.357 58.000 -0.130 0.000 1.117 508 F CB 0.032 39.011 39.000 -0.035 0.000 1.383 508 F HN -0.186 nan 8.300 nan 0.000 0.571 509 P HA -0.051 nan 4.420 nan 0.000 0.261 509 P C -0.274 176.592 177.300 -0.724 0.000 1.183 509 P CA 0.884 63.412 63.100 -0.953 0.000 0.761 509 P CB 0.328 31.727 31.700 -0.502 0.000 0.785 510 H N -2.135 116.196 119.070 -1.231 0.000 3.080 510 H HA -0.206 4.352 4.556 0.004 0.000 0.254 510 H C 0.886 176.172 175.328 -0.071 0.000 1.179 510 H CA 0.902 56.759 56.048 -0.319 0.000 1.144 510 H CB -2.524 27.163 29.762 -0.125 0.000 1.261 510 H HN 0.639 nan 8.280 nan 0.000 0.333 511 H N 1.900 120.911 119.070 -0.097 0.000 2.972 511 H HA 0.026 4.584 4.556 0.004 0.000 0.343 511 H C 1.659 176.978 175.328 -0.015 0.000 1.054 511 H CA 1.163 57.199 56.048 -0.021 0.000 1.412 511 H CB 0.642 30.413 29.762 0.015 0.000 1.385 511 H HN 0.654 nan 8.280 nan 0.000 0.600 512 R N 3.254 123.512 120.500 -0.403 0.000 2.193 512 R HA -0.153 4.189 4.340 0.004 0.000 0.229 512 R C 0.437 176.668 176.300 -0.114 0.000 1.110 512 R CA 1.559 57.477 56.100 -0.303 0.000 0.988 512 R CB -0.232 29.746 30.300 -0.538 0.000 0.871 512 R HN 0.463 nan 8.270 nan 0.000 0.458 513 Y N 0.898 121.392 120.300 0.322 0.000 2.462 513 Y HA 0.375 4.928 4.550 0.004 0.000 0.261 513 Y C 0.841 176.802 175.900 0.103 0.000 1.146 513 Y CA -0.644 57.571 58.100 0.191 0.000 1.283 513 Y CB 0.288 38.894 38.460 0.244 0.000 1.090 513 Y HN -0.092 nan 8.280 nan 0.000 0.526 514 L N 0.639 122.057 121.223 0.325 0.000 2.375 514 L HA 0.449 4.791 4.340 0.004 0.000 0.268 514 L C -0.501 176.451 176.870 0.136 0.000 1.058 514 L CA -0.763 54.231 54.840 0.256 0.000 0.803 514 L CB 1.577 43.901 42.059 0.440 0.000 1.212 514 L HN -0.107 nan 8.230 nan 0.000 0.451 515 L N 0.947 122.131 121.223 -0.066 0.000 2.325 515 L HA 0.302 4.645 4.340 0.004 0.000 0.278 515 L C -0.189 176.219 176.870 -0.770 0.000 1.023 515 L CA -0.745 53.898 54.840 -0.329 0.000 0.811 515 L CB 1.683 43.628 42.059 -0.191 0.000 1.249 515 L HN 0.507 nan 8.230 nan 0.000 0.431 516 D N 2.073 121.628 120.400 -1.409 0.000 2.451 516 D HA 0.048 4.690 4.640 0.004 0.000 0.254 516 D C -0.778 174.959 176.300 -0.938 0.000 1.204 516 D CA 0.442 53.182 54.000 -2.101 0.000 0.896 516 D CB 0.637 40.640 40.800 -1.328 0.000 1.136 516 D HN 0.425 nan 8.370 nan 0.000 0.499 517 T N 3.867 117.988 114.554 -0.722 0.000 2.876 517 T HA 0.447 4.800 4.350 0.004 0.000 0.289 517 T C -0.699 173.825 174.700 -0.294 0.000 1.014 517 T CA -0.890 60.992 62.100 -0.363 0.000 0.986 517 T CB 2.024 70.734 68.868 -0.263 0.000 1.021 517 T HN 0.340 nan 8.240 nan 0.000 0.458 518 D N -0.301 119.951 120.400 -0.245 0.000 2.579 518 D HA 0.424 5.066 4.640 0.004 0.000 0.257 518 D C -0.393 175.797 176.300 -0.184 0.000 1.176 518 D CA -0.973 52.906 54.000 -0.202 0.000 0.914 518 D CB 1.513 42.270 40.800 -0.072 0.000 1.431 518 D HN 0.407 nan 8.370 nan 0.000 0.454 519 F N -0.010 119.974 119.950 0.057 0.000 2.797 519 F HA 0.144 4.673 4.527 0.004 0.000 0.302 519 F C 1.123 177.002 175.800 0.130 0.000 1.130 519 F CA 0.266 58.326 58.000 0.100 0.000 1.387 519 F CB 0.447 39.461 39.000 0.024 0.000 1.107 519 F HN 0.161 nan 8.300 nan 0.000 0.577 520 T N -3.550 111.062 114.554 0.096 0.000 2.841 520 T HA 0.512 4.865 4.350 0.004 0.000 0.296 520 T C -0.707 173.659 174.700 -0.556 0.000 1.166 520 T CA -0.877 61.055 62.100 -0.280 0.000 1.007 520 T CB 1.817 70.594 68.868 -0.151 0.000 1.253 520 T HN -0.348 nan 8.240 nan 0.000 0.511 521 V N 3.881 123.299 119.914 -0.826 0.000 2.313 521 V HA 0.220 4.342 4.120 0.004 0.000 0.252 521 V C 1.214 177.120 176.094 -0.314 0.000 1.112 521 V CA -0.786 61.090 62.300 -0.707 0.000 0.984 521 V CB -1.213 30.117 31.823 -0.823 0.000 1.157 521 V HN 0.910 nan 8.190 nan 0.000 0.493 522 N N 3.033 121.615 118.700 -0.197 0.000 2.322 522 N HA 0.081 4.823 4.740 0.004 0.000 0.270 522 N C 0.318 175.803 175.510 -0.042 0.000 1.286 522 N CA -0.633 52.365 53.050 -0.087 0.000 0.948 522 N CB 1.064 39.527 38.487 -0.040 0.000 1.164 522 N HN 0.342 nan 8.380 nan 0.000 0.551 523 D N 0.410 120.807 120.400 -0.006 0.000 2.092 523 D HA -0.167 4.475 4.640 0.004 0.000 0.193 523 D C 1.535 177.856 176.300 0.035 0.000 0.994 523 D CA 1.784 55.795 54.000 0.018 0.000 0.828 523 D CB -0.289 40.527 40.800 0.027 0.000 0.963 523 D HN 0.605 nan 8.370 nan 0.000 0.450 524 E N 0.392 120.617 120.200 0.042 0.000 2.110 524 E HA -0.073 4.279 4.350 0.004 0.000 0.193 524 E C 2.305 178.936 176.600 0.051 0.000 0.988 524 E CA 0.295 56.727 56.400 0.053 0.000 0.804 524 E CB -0.227 29.515 29.700 0.069 0.000 0.745 524 E HN 0.289 nan 8.360 nan 0.000 0.458 525 L N -0.135 121.112 121.223 0.039 0.000 2.141 525 L HA -0.132 4.210 4.340 0.004 0.000 0.209 525 L C 2.133 179.123 176.870 0.201 0.000 1.094 525 L CA 0.481 55.380 54.840 0.099 0.000 0.763 525 L CB -0.336 41.742 42.059 0.030 0.000 0.908 525 L HN 0.092 nan 8.230 nan 0.000 0.437 526 V N 1.050 121.044 119.914 0.134 0.000 2.287 526 V HA -0.310 3.813 4.120 0.004 0.000 0.248 526 V C 2.437 178.602 176.094 0.119 0.000 1.053 526 V CA 2.441 64.832 62.300 0.151 0.000 1.027 526 V CB -0.740 31.132 31.823 0.081 0.000 0.646 526 V HN 0.617 nan 8.190 nan 0.000 0.447 527 K N 1.215 121.665 120.400 0.082 0.000 2.365 527 K HA -0.057 4.265 4.320 0.004 0.000 0.197 527 K C 1.679 178.296 176.600 0.029 0.000 1.042 527 K CA 1.412 57.732 56.287 0.054 0.000 0.987 527 K CB -0.473 32.047 32.500 0.032 0.000 0.779 527 K HN 0.576 nan 8.250 nan 0.000 0.484 528 T N -2.857 111.729 114.554 0.053 0.000 3.037 528 T HA 0.315 4.668 4.350 0.004 0.000 0.251 528 T C 0.949 175.686 174.700 0.062 0.000 1.079 528 T CA -0.095 62.019 62.100 0.023 0.000 1.067 528 T CB -0.091 68.810 68.868 0.055 0.000 0.948 528 T HN 0.491 nan 8.240 nan 0.000 0.496 529 G N 1.392 110.245 108.800 0.089 0.000 2.712 529 G HA2 0.200 4.163 3.960 0.004 0.000 0.686 529 G HA3 0.200 4.163 3.960 0.004 0.000 0.686 529 G C -0.801 174.130 174.900 0.052 0.000 1.321 529 G CA -0.533 44.548 45.100 -0.032 0.000 0.813 529 G HN 1.106 nan 8.290 nan 0.000 0.599 530 Y N -2.441 117.893 120.300 0.057 0.000 2.689 530 Y HA 0.895 5.447 4.550 0.004 0.000 0.333 530 Y C 0.020 175.942 175.900 0.037 0.000 1.190 530 Y CA -1.293 56.842 58.100 0.057 0.000 1.063 530 Y CB 0.802 39.319 38.460 0.095 0.000 1.294 530 Y HN 1.846 nan 8.280 nan 0.000 0.466 531 A N 1.008 123.989 122.820 0.269 0.000 2.330 531 A HA 0.765 5.087 4.320 0.004 0.000 0.327 531 A C -1.505 176.141 177.584 0.102 0.000 1.155 531 A CA -0.860 51.242 52.037 0.108 0.000 0.803 531 A CB 1.071 20.058 19.000 -0.021 0.000 1.208 531 A HN 0.684 nan 8.150 nan 0.000 0.477 532 V N 3.064 122.999 119.914 0.035 0.000 2.398 532 V HA 0.464 4.587 4.120 0.004 0.000 0.286 532 V C -0.185 175.806 176.094 -0.172 0.000 1.026 532 V CA -0.397 61.804 62.300 -0.166 0.000 0.868 532 V CB 1.039 32.828 31.823 -0.057 0.000 0.982 532 V HN 0.877 nan 8.190 nan 0.000 0.443 533 K N 5.989 126.240 120.400 -0.248 0.000 2.482 533 K HA 0.487 4.810 4.320 0.004 0.000 0.251 533 K C -3.028 173.468 176.600 -0.174 0.000 0.936 533 K CA -1.851 54.330 56.287 -0.177 0.000 0.791 533 K CB 2.844 35.247 32.500 -0.162 0.000 1.213 533 K HN 0.305 nan 8.250 nan 0.000 0.428 534 P HA 0.033 nan 4.420 nan 0.000 0.268 534 P C 0.867 178.086 177.300 -0.135 0.000 1.205 534 P CA -0.200 62.841 63.100 -0.098 0.000 0.771 534 P CB 0.477 32.152 31.700 -0.041 0.000 0.858 535 I N 0.292 120.805 120.570 -0.094 0.000 2.493 535 I HA -0.019 4.153 4.170 0.004 0.000 0.254 535 I C 1.270 177.336 176.117 -0.085 0.000 1.160 535 I CA 1.337 62.584 61.300 -0.088 0.000 1.445 535 I CB -0.432 37.531 38.000 -0.061 0.000 1.086 535 I HN 0.151 nan 8.210 nan 0.000 0.433 536 A N 1.237 123.989 122.820 -0.114 0.000 2.701 536 A HA 0.681 5.004 4.320 0.004 0.000 0.297 536 A C 0.796 178.091 177.584 -0.482 0.000 1.197 536 A CA -0.044 51.897 52.037 -0.160 0.000 0.963 536 A CB -0.741 18.248 19.000 -0.018 0.000 1.175 536 A HN 0.466 nan 8.150 nan 0.000 0.531 537 G N 0.408 108.838 108.800 -0.617 0.000 2.532 537 G HA2 0.689 4.652 3.960 0.004 0.000 0.291 537 G HA3 0.689 4.652 3.960 0.004 0.000 0.291 537 G C -0.069 174.407 174.900 -0.707 0.000 1.349 537 G CA -0.532 43.824 45.100 -1.239 0.000 1.038 537 G HN 0.830 nan 8.290 nan 0.000 0.518 538 R N -4.064 116.119 120.500 -0.529 0.000 2.780 538 R HA 0.351 4.693 4.340 0.004 0.000 0.280 538 R C -0.381 175.909 176.300 -0.016 0.000 1.016 538 R CA -0.270 55.720 56.100 -0.182 0.000 0.854 538 R CB -0.061 30.158 30.300 -0.134 0.000 1.293 538 R HN 1.058 nan 8.270 nan 0.000 0.483 539 C N -0.443 118.852 119.300 -0.008 0.000 4.320 539 C HA -0.092 4.371 4.460 0.004 0.000 0.281 539 C C 1.418 176.417 174.990 0.016 0.000 1.432 539 C CA 1.405 60.434 59.018 0.019 0.000 1.884 539 C CB -2.186 25.590 27.740 0.060 0.000 1.378 539 C HN 1.812 nan 8.230 nan 0.000 0.771 540 G N -0.148 108.647 108.800 -0.008 0.000 2.160 540 G HA2 -0.150 3.812 3.960 0.004 0.000 0.244 540 G HA3 -0.150 3.812 3.960 0.004 0.000 0.244 540 G C -0.056 174.853 174.900 0.014 0.000 1.022 540 G CA 0.472 45.559 45.100 -0.023 0.000 0.741 540 G HN 1.057 nan 8.290 nan 0.000 0.508 541 S N -0.052 115.696 115.700 0.080 0.000 2.584 541 S HA 0.468 4.941 4.470 0.004 0.000 0.273 541 S C 0.888 175.568 174.600 0.134 0.000 1.311 541 S CA 0.152 58.444 58.200 0.152 0.000 1.034 541 S CB 0.695 64.115 63.200 0.367 0.000 0.939 541 S HN 0.730 nan 8.310 nan 0.000 0.513 542 N N 0.574 119.332 118.700 0.098 0.000 2.714 542 N HA -0.147 4.595 4.740 0.004 0.000 0.252 542 N C -0.994 174.529 175.510 0.021 0.000 1.014 542 N CA 0.421 53.512 53.050 0.069 0.000 0.735 542 N CB -1.190 37.373 38.487 0.126 0.000 0.924 542 N HN 0.385 nan 8.380 nan 0.000 0.540 543 I N 0.207 120.774 120.570 -0.006 0.000 2.359 543 I HA 0.312 4.485 4.170 0.004 0.000 0.294 543 I C 0.039 176.136 176.117 -0.033 0.000 0.987 543 I CA -0.198 61.077 61.300 -0.041 0.000 1.225 543 I CB 1.445 39.402 38.000 -0.071 0.000 1.366 543 I HN 0.057 nan 8.210 nan 0.000 0.466 544 D N 7.219 127.605 120.400 -0.023 0.000 2.502 544 D HA 0.461 5.104 4.640 0.004 0.000 0.249 544 D C -0.454 175.837 176.300 -0.016 0.000 1.092 544 D CA -0.264 53.733 54.000 -0.005 0.000 0.839 544 D CB 2.789 43.616 40.800 0.045 0.000 1.264 544 D HN 0.261 nan 8.370 nan 0.000 0.511 545 L N 1.869 123.059 121.223 -0.056 0.000 2.287 545 L HA 0.488 4.830 4.340 0.004 0.000 0.287 545 L C -0.445 176.347 176.870 -0.131 0.000 1.022 545 L CA -0.934 53.853 54.840 -0.088 0.000 0.814 545 L CB 1.760 43.758 42.059 -0.102 0.000 1.217 545 L HN -0.011 nan 8.230 nan 0.000 0.420 546 V N 2.088 121.856 119.914 -0.243 0.000 2.444 546 V HA 0.276 4.398 4.120 0.004 0.000 0.294 546 V C 0.361 176.243 176.094 -0.353 0.000 1.022 546 V CA -0.612 61.475 62.300 -0.356 0.000 0.850 546 V CB 1.961 33.381 31.823 -0.672 0.000 0.992 546 V HN 0.921 nan 8.190 nan 0.000 0.426 547 S N 3.693 119.261 115.700 -0.220 0.000 2.596 547 S HA 0.110 4.582 4.470 0.004 0.000 0.260 547 S C 1.283 175.773 174.600 -0.183 0.000 1.336 547 S CA 0.115 58.207 58.200 -0.179 0.000 0.993 547 S CB 0.334 63.415 63.200 -0.198 0.000 0.923 547 S HN 0.906 nan 8.310 nan 0.000 0.567 548 H N 0.071 119.021 119.070 -0.201 0.000 2.521 548 H HA -0.019 4.539 4.556 0.004 0.000 0.286 548 H C 0.816 176.026 175.328 -0.197 0.000 1.034 548 H CA 1.529 57.454 56.048 -0.206 0.000 1.278 548 H CB -0.843 28.768 29.762 -0.253 0.000 1.386 548 H HN 0.889 nan 8.280 nan 0.000 0.567 549 H N 0.661 119.516 119.070 -0.360 0.000 2.536 549 H HA 0.069 4.627 4.556 0.004 0.000 0.276 549 H C 0.362 175.610 175.328 -0.134 0.000 1.019 549 H CA 0.334 56.243 56.048 -0.231 0.000 1.159 549 H CB 0.295 29.880 29.762 -0.296 0.000 1.373 549 H HN 0.408 nan 8.280 nan 0.000 0.584 550 E N 1.041 121.216 120.200 -0.042 0.000 2.971 550 E HA -0.228 4.124 4.350 0.004 0.000 0.278 550 E C -0.460 176.111 176.600 -0.049 0.000 1.009 550 E CA 0.511 56.886 56.400 -0.042 0.000 0.862 550 E CB -0.736 28.968 29.700 0.006 0.000 1.436 550 E HN 0.840 nan 8.360 nan 0.000 0.434 551 E N -1.050 119.112 120.200 -0.065 0.000 2.204 551 E HA 0.471 4.824 4.350 0.004 0.000 0.276 551 E C -0.179 176.374 176.600 -0.077 0.000 0.974 551 E CA -0.892 55.474 56.400 -0.056 0.000 0.815 551 E CB 1.900 31.573 29.700 -0.045 0.000 1.119 551 E HN -0.011 nan 8.360 nan 0.000 0.393 552 V N 5.088 124.968 119.914 -0.057 0.000 2.403 552 V HA -0.049 4.074 4.120 0.004 0.000 0.265 552 V C 1.183 177.242 176.094 -0.059 0.000 1.034 552 V CA 0.279 62.544 62.300 -0.059 0.000 1.036 552 V CB -0.145 31.659 31.823 -0.032 0.000 1.032 552 V HN 0.794 nan 8.190 nan 0.000 0.478 553 L N 2.912 124.089 121.223 -0.076 0.000 2.156 553 L HA 0.127 4.470 4.340 0.004 0.000 0.208 553 L C 0.788 177.616 176.870 -0.069 0.000 1.095 553 L CA 1.137 55.934 54.840 -0.070 0.000 0.770 553 L CB 0.077 42.087 42.059 -0.082 0.000 0.914 553 L HN 0.680 nan 8.230 nan 0.000 0.439 554 D N -1.532 118.826 120.400 -0.070 0.000 2.710 554 D HA 0.326 4.968 4.640 0.004 0.000 0.276 554 D C -1.456 174.812 176.300 -0.053 0.000 1.267 554 D CA -0.590 53.371 54.000 -0.065 0.000 0.772 554 D CB 1.691 42.435 40.800 -0.093 0.000 1.299 554 D HN -0.167 nan 8.370 nan 0.000 0.421 555 K N 0.199 120.574 120.400 -0.042 0.000 2.562 555 K HA 0.646 4.968 4.320 0.004 0.000 0.267 555 K C -1.531 175.055 176.600 -0.024 0.000 0.938 555 K CA -0.521 55.750 56.287 -0.027 0.000 0.840 555 K CB 1.595 34.087 32.500 -0.014 0.000 1.390 555 K HN 0.500 nan 8.250 nan 0.000 0.428 556 T N -0.938 113.607 114.554 -0.016 0.000 2.916 556 T HA 0.614 4.967 4.350 0.004 0.000 0.292 556 T C -0.071 174.630 174.700 0.003 0.000 1.064 556 T CA -0.767 61.328 62.100 -0.009 0.000 1.011 556 T CB 1.429 70.291 68.868 -0.010 0.000 1.152 556 T HN 0.598 nan 8.240 nan 0.000 0.510 557 S N -0.256 115.445 115.700 0.002 0.000 2.745 557 S HA 0.998 5.470 4.470 0.004 0.000 0.292 557 S C 0.402 175.004 174.600 0.003 0.000 1.127 557 S CA -0.309 57.891 58.200 -0.001 0.000 1.007 557 S CB 1.004 64.197 63.200 -0.012 0.000 1.165 557 S HN 2.058 nan 8.310 nan 0.000 0.544 558 G N -0.382 108.401 108.800 -0.027 0.000 2.350 558 G HA2 0.203 4.165 3.960 0.004 0.000 0.304 558 G HA3 0.203 4.165 3.960 0.004 0.000 0.304 558 G C -0.691 174.097 174.900 -0.187 0.000 1.421 558 G CA -0.919 44.135 45.100 -0.077 0.000 0.934 558 G HN 0.566 nan 8.290 nan 0.000 0.632 559 K N -0.520 119.605 120.400 -0.458 0.000 2.525 559 K HA 0.178 4.501 4.320 0.004 0.000 0.192 559 K C 0.502 176.759 176.600 -0.572 0.000 1.029 559 K CA 0.748 56.703 56.287 -0.554 0.000 1.029 559 K CB -0.114 32.003 32.500 -0.638 0.000 0.814 559 K HN 0.370 nan 8.250 nan 0.000 0.503 560 F N -0.541 119.411 119.950 0.003 0.000 2.684 560 F HA 0.264 4.793 4.527 0.004 0.000 0.298 560 F C 1.640 177.443 175.800 0.004 0.000 1.120 560 F CA -0.591 57.413 58.000 0.007 0.000 1.332 560 F CB 0.236 39.237 39.000 0.001 0.000 0.986 560 F HN -0.066 nan 8.300 nan 0.000 0.524 561 A N -0.019 122.859 122.820 0.096 0.000 2.125 561 A HA -0.103 4.220 4.320 0.004 0.000 0.219 561 A C 2.068 179.693 177.584 0.069 0.000 1.156 561 A CA 1.343 53.423 52.037 0.072 0.000 0.671 561 A CB -0.224 18.796 19.000 0.034 0.000 0.794 561 A HN 0.255 nan 8.150 nan 0.000 0.459 562 E N 0.159 120.405 120.200 0.075 0.000 2.447 562 E HA 0.016 4.368 4.350 0.004 0.000 0.195 562 E C 0.413 177.062 176.600 0.081 0.000 1.028 562 E CA 0.057 56.498 56.400 0.068 0.000 0.876 562 E CB -0.053 29.682 29.700 0.058 0.000 0.885 562 E HN 0.754 nan 8.360 nan 0.000 0.500 563 Q N 1.273 121.136 119.800 0.106 0.000 2.417 563 Q HA 0.104 4.446 4.340 0.004 0.000 0.241 563 Q C 0.389 176.428 176.000 0.064 0.000 1.008 563 Q CA 0.074 55.935 55.803 0.097 0.000 0.901 563 Q CB 0.966 29.774 28.738 0.116 0.000 1.259 563 Q HN -0.073 nan 8.270 nan 0.000 0.489 564 K N 1.564 121.999 120.400 0.058 0.000 2.414 564 K HA 0.006 4.329 4.320 0.004 0.000 0.272 564 K C -0.569 176.042 176.600 0.019 0.000 0.993 564 K CA 0.070 56.389 56.287 0.053 0.000 0.964 564 K CB 0.483 33.018 32.500 0.059 0.000 0.925 564 K HN 0.490 nan 8.250 nan 0.000 0.487 565 N N 2.061 120.757 118.700 -0.006 0.000 2.402 565 N HA 0.419 5.161 4.740 0.004 0.000 0.294 565 N C -0.613 174.765 175.510 -0.219 0.000 1.203 565 N CA -0.568 52.389 53.050 -0.155 0.000 0.838 565 N CB 1.225 39.535 38.487 -0.296 0.000 1.306 565 N HN 0.474 nan 8.380 nan 0.000 0.510 566 I N -1.995 118.344 120.570 -0.386 0.000 3.023 566 I HA 0.564 4.737 4.170 0.004 0.000 0.312 566 I C -1.229 174.473 176.117 -0.692 0.000 1.056 566 I CA -0.858 60.192 61.300 -0.415 0.000 1.033 566 I CB 0.828 38.586 38.000 -0.403 0.000 1.233 566 I HN 0.315 nan 8.210 nan 0.000 0.462 567 Y N 1.056 121.222 120.300 -0.223 0.000 2.326 567 Y HA 0.599 5.152 4.550 0.004 0.000 0.329 567 Y C -0.276 175.512 175.900 -0.187 0.000 0.973 567 Y CA -0.450 57.522 58.100 -0.214 0.000 1.162 567 Y CB 1.659 39.891 38.460 -0.379 0.000 1.147 567 Y HN 0.594 nan 8.280 nan 0.000 0.456 568 Q N 3.303 123.094 119.800 -0.015 0.000 2.316 568 Q HA 0.238 4.580 4.340 0.004 0.000 0.264 568 Q C -0.563 175.473 176.000 0.060 0.000 0.987 568 Q CA -0.986 54.796 55.803 -0.035 0.000 0.852 568 Q CB 1.536 30.245 28.738 -0.048 0.000 1.287 568 Q HN 0.748 nan 8.270 nan 0.000 0.448 569 Q N 3.443 123.238 119.800 -0.008 0.000 2.398 569 Q HA -0.103 4.239 4.340 0.004 0.000 0.329 569 Q C -0.761 175.338 176.000 0.165 0.000 1.079 569 Q CA -0.017 55.823 55.803 0.062 0.000 1.041 569 Q CB 0.400 29.114 28.738 -0.040 0.000 1.084 569 Q HN 0.615 nan 8.270 nan 0.000 0.386 570 L N 6.769 128.097 121.223 0.175 0.000 2.559 570 L HA 0.035 4.378 4.340 0.004 0.000 0.274 570 L C -1.097 175.954 176.870 0.301 0.000 1.205 570 L CA 1.065 56.008 54.840 0.172 0.000 0.907 570 L CB 0.273 42.379 42.059 0.078 0.000 1.153 570 L HN 0.718 nan 8.230 nan 0.000 0.490 571 W N 7.305 128.670 121.300 0.108 0.000 2.183 571 W HA 0.236 4.899 4.660 0.005 0.000 0.289 571 W C -1.189 175.454 176.519 0.207 0.000 1.029 571 W CA -1.105 56.328 57.345 0.147 0.000 1.264 571 W CB 1.009 30.564 29.460 0.159 0.000 1.232 571 W HN 0.451 nan 8.180 nan 0.000 0.311 572 C N 4.275 123.685 119.300 0.183 0.000 2.642 572 C HA 0.131 4.593 4.460 0.004 0.000 0.420 572 C C 1.458 176.581 174.990 0.222 0.000 1.349 572 C CA 0.024 59.130 59.018 0.147 0.000 1.821 572 C CB -0.543 27.221 27.740 0.039 0.000 2.637 572 C HN 0.406 nan 8.230 nan 0.000 0.605 573 L N 6.332 127.711 121.223 0.259 0.000 2.506 573 L HA 0.159 4.502 4.340 0.004 0.000 0.281 573 L C -1.422 175.627 176.870 0.298 0.000 1.228 573 L CA -0.678 54.345 54.840 0.305 0.000 0.850 573 L CB 0.144 42.380 42.059 0.295 0.000 1.110 573 L HN 0.509 nan 8.230 nan 0.000 0.496 574 P HA 0.118 nan 4.420 nan 0.000 0.276 574 P C -1.371 175.980 177.300 0.085 0.000 1.244 574 P CA -0.581 62.598 63.100 0.130 0.000 0.801 574 P CB 0.938 32.683 31.700 0.075 0.000 1.006 575 K N 1.126 121.497 120.400 -0.049 0.000 2.307 575 K HA 0.485 4.807 4.320 0.004 0.000 0.263 575 K C -1.519 175.007 176.600 -0.123 0.000 0.973 575 K CA -0.683 55.426 56.287 -0.297 0.000 0.846 575 K CB 0.767 32.949 32.500 -0.532 0.000 1.100 575 K HN 0.184 nan 8.250 nan 0.000 0.438 576 V N 4.022 123.899 119.914 -0.062 0.000 2.623 576 V HA 0.179 4.301 4.120 0.004 0.000 0.304 576 V C -0.902 175.301 176.094 0.180 0.000 1.054 576 V CA -0.816 61.538 62.300 0.091 0.000 0.882 576 V CB 1.659 33.599 31.823 0.195 0.000 1.002 576 V HN 0.984 nan 8.190 nan 0.000 0.424 577 D N 4.037 124.489 120.400 0.086 0.000 2.697 577 D HA -0.162 4.481 4.640 0.004 0.000 0.238 577 D C 1.301 177.571 176.300 -0.051 0.000 1.152 577 D CA 2.001 56.006 54.000 0.009 0.000 0.666 577 D CB -1.043 39.744 40.800 -0.022 0.000 1.037 577 D HN 1.542 nan 8.370 nan 0.000 0.423 578 G N -0.706 108.049 108.800 -0.075 0.000 2.168 578 G HA2 -0.366 3.597 3.960 0.004 0.000 0.263 578 G HA3 -0.366 3.597 3.960 0.004 0.000 0.263 578 G C 0.304 175.125 174.900 -0.132 0.000 0.977 578 G CA 0.861 45.896 45.100 -0.108 0.000 0.659 578 G HN 0.547 nan 8.290 nan 0.000 0.533 579 K N -1.038 119.280 120.400 -0.138 0.000 2.498 579 K HA 0.467 4.789 4.320 0.004 0.000 0.254 579 K C -0.932 175.539 176.600 -0.215 0.000 0.933 579 K CA -0.966 55.243 56.287 -0.129 0.000 0.806 579 K CB 1.605 34.104 32.500 -0.003 0.000 1.301 579 K HN 0.080 nan 8.250 nan 0.000 0.432 580 Y N 2.328 122.624 120.300 -0.007 0.000 2.442 580 Y HA 0.145 4.697 4.550 0.004 0.000 0.330 580 Y C 0.475 176.344 175.900 -0.051 0.000 1.129 580 Y CA -0.249 57.844 58.100 -0.011 0.000 1.365 580 Y CB 0.487 38.949 38.460 0.004 0.000 1.233 580 Y HN 0.169 nan 8.280 nan 0.000 0.529 581 I N 4.063 124.658 120.570 0.042 0.000 2.406 581 I HA 0.238 4.411 4.170 0.004 0.000 0.290 581 I C -0.400 175.721 176.117 0.007 0.000 0.999 581 I CA -0.860 60.389 61.300 -0.085 0.000 1.124 581 I CB 1.651 39.456 38.000 -0.325 0.000 1.289 581 I HN 0.640 nan 8.210 nan 0.000 0.441 582 Q N 5.449 125.256 119.800 0.012 0.000 2.309 582 Q HA 0.616 4.958 4.340 0.004 0.000 0.264 582 Q C -1.766 174.241 176.000 0.012 0.000 1.008 582 Q CA -0.576 55.269 55.803 0.071 0.000 0.853 582 Q CB 2.479 31.290 28.738 0.122 0.000 1.314 582 Q HN 0.468 nan 8.270 nan 0.000 0.448 583 V N 3.246 123.182 119.914 0.036 0.000 2.472 583 V HA 0.443 4.565 4.120 0.004 0.000 0.290 583 V C -0.422 175.713 176.094 0.069 0.000 1.037 583 V CA -0.570 61.735 62.300 0.009 0.000 0.908 583 V CB 1.309 33.111 31.823 -0.034 0.000 0.985 583 V HN 0.907 nan 8.190 nan 0.000 0.454 584 C N 3.274 122.562 119.300 -0.019 0.000 2.634 584 C HA 0.870 5.333 4.460 0.004 0.000 0.313 584 C C 0.377 175.264 174.990 -0.172 0.000 1.198 584 C CA -0.554 58.409 59.018 -0.093 0.000 1.605 584 C CB 1.804 29.377 27.740 -0.278 0.000 2.196 584 C HN 0.999 nan 8.230 nan 0.000 0.486 585 T N -0.536 113.916 114.554 -0.170 0.000 2.907 585 T HA 0.780 5.133 4.350 0.004 0.000 0.292 585 T C -0.939 173.517 174.700 -0.406 0.000 1.043 585 T CA -0.397 61.585 62.100 -0.196 0.000 1.003 585 T CB 1.038 69.977 68.868 0.120 0.000 1.084 585 T HN 0.320 nan 8.240 nan 0.000 0.483 586 F N 1.439 121.267 119.950 -0.203 0.000 2.432 586 F HA 0.652 5.181 4.527 0.004 0.000 0.329 586 F C 1.178 176.891 175.800 -0.145 0.000 1.076 586 F CA -0.561 57.335 58.000 -0.175 0.000 1.018 586 F CB 2.055 40.914 39.000 -0.235 0.000 1.201 586 F HN 0.867 nan 8.300 nan 0.000 0.489 587 T N -0.669 113.989 114.554 0.174 0.000 2.856 587 T HA 0.816 5.169 4.350 0.004 0.000 0.283 587 T C -1.146 173.621 174.700 0.111 0.000 1.008 587 T CA -0.794 61.355 62.100 0.081 0.000 0.997 587 T CB 1.505 70.407 68.868 0.056 0.000 0.992 587 T HN 0.364 nan 8.240 nan 0.000 0.454 588 V N 1.963 121.894 119.914 0.028 0.000 2.569 588 V HA 0.671 4.793 4.120 0.004 0.000 0.301 588 V C 1.067 177.143 176.094 -0.030 0.000 1.044 588 V CA -0.181 62.123 62.300 0.006 0.000 0.874 588 V CB 1.055 32.870 31.823 -0.012 0.000 1.002 588 V HN 1.485 nan 8.190 nan 0.000 0.424 589 G N 3.364 112.149 108.800 -0.024 0.000 2.321 589 G HA2 0.035 3.997 3.960 0.004 0.000 0.287 589 G HA3 0.035 3.997 3.960 0.004 0.000 0.287 589 G C 1.272 176.166 174.900 -0.010 0.000 1.018 589 G CA 1.137 46.241 45.100 0.007 0.000 0.855 589 G HN 2.411 nan 8.290 nan 0.000 0.507 590 G N -1.752 106.965 108.800 -0.139 0.000 2.225 590 G HA2 -0.295 3.667 3.960 0.004 0.000 0.254 590 G HA3 -0.295 3.667 3.960 0.004 0.000 0.254 590 G C 0.220 174.926 174.900 -0.323 0.000 0.988 590 G CA 0.669 45.457 45.100 -0.520 0.000 0.625 590 G HN 1.106 nan 8.290 nan 0.000 0.527 591 N N -0.785 117.849 118.700 -0.111 0.000 2.402 591 N HA 0.456 5.199 4.740 0.004 0.000 0.294 591 N C -0.409 175.139 175.510 0.063 0.000 1.203 591 N CA -0.703 52.349 53.050 0.003 0.000 0.838 591 N CB 1.046 39.551 38.487 0.030 0.000 1.306 591 N HN 0.170 nan 8.380 nan 0.000 0.510 592 Y N 0.321 120.624 120.300 0.005 0.000 2.895 592 Y HA 0.111 4.663 4.550 0.004 0.000 0.334 592 Y C 1.233 177.170 175.900 0.063 0.000 1.261 592 Y CA 0.861 58.983 58.100 0.038 0.000 1.560 592 Y CB 0.266 38.745 38.460 0.032 0.000 1.253 592 Y HN 0.671 nan 8.280 nan 0.000 0.582 593 G N 2.720 111.219 108.800 -0.501 0.000 4.008 593 G HA2 0.493 4.456 3.960 0.004 0.000 0.278 593 G HA3 0.493 4.456 3.960 0.004 0.000 0.278 593 G C -0.016 174.612 174.900 -0.453 0.000 1.021 593 G CA 0.196 45.119 45.100 -0.294 0.000 0.833 593 G HN 1.339 nan 8.290 nan 0.000 0.454 594 G N -0.976 107.081 108.800 -1.239 0.000 2.339 594 G HA2 0.426 4.388 3.960 0.004 0.000 0.381 594 G HA3 0.426 4.388 3.960 0.004 0.000 0.381 594 G C -1.065 173.723 174.900 -0.186 0.000 1.400 594 G CA -0.273 44.539 45.100 -0.480 0.000 1.002 594 G HN 0.566 nan 8.290 nan 0.000 0.633 595 T N -0.416 114.215 114.554 0.128 0.000 2.900 595 T HA 0.790 5.143 4.350 0.004 0.000 0.295 595 T C 0.053 174.797 174.700 0.072 0.000 1.044 595 T CA 0.155 62.310 62.100 0.091 0.000 0.995 595 T CB 1.281 70.238 68.868 0.149 0.000 1.072 595 T HN 2.008 nan 8.240 nan 0.000 0.473 596 C N 1.442 120.730 119.300 -0.020 0.000 3.323 596 C HA 0.906 5.368 4.460 0.004 0.000 0.324 596 C C -1.651 173.300 174.990 -0.066 0.000 1.428 596 C CA -1.130 57.879 59.018 -0.014 0.000 1.368 596 C CB -0.052 27.718 27.740 0.050 0.000 1.731 596 C HN 0.887 nan 8.230 nan 0.000 0.455 597 L N 1.213 122.392 121.223 -0.072 0.000 2.354 597 L HA 0.755 5.097 4.340 0.004 0.000 0.269 597 L C -0.385 176.437 176.870 -0.080 0.000 1.005 597 L CA -0.654 54.129 54.840 -0.095 0.000 0.819 597 L CB 1.720 43.692 42.059 -0.145 0.000 1.311 597 L HN 0.661 nan 8.230 nan 0.000 0.423 598 R N 1.039 121.497 120.500 -0.069 0.000 2.599 598 R HA 0.716 5.059 4.340 0.004 0.000 0.295 598 R C -0.478 175.794 176.300 -0.048 0.000 0.963 598 R CA -0.866 55.210 56.100 -0.040 0.000 0.883 598 R CB 1.987 32.279 30.300 -0.014 0.000 1.171 598 R HN 0.802 nan 8.270 nan 0.000 0.450 599 G N 0.567 109.349 108.800 -0.030 0.000 2.566 599 G HA2 0.516 4.478 3.960 0.004 0.000 0.311 599 G HA3 0.516 4.478 3.960 0.004 0.000 0.311 599 G C -1.411 173.509 174.900 0.033 0.000 1.322 599 G CA -0.241 44.847 45.100 -0.020 0.000 0.969 599 G HN 0.464 nan 8.290 nan 0.000 0.490 600 D N 0.110 120.560 120.400 0.083 0.000 2.661 600 D HA 0.403 5.046 4.640 0.004 0.000 0.228 600 D C 0.639 177.052 176.300 0.188 0.000 1.210 600 D CA -0.520 53.542 54.000 0.103 0.000 0.826 600 D CB 2.186 43.033 40.800 0.077 0.000 1.542 600 D HN 0.210 nan 8.370 nan 0.000 0.447 601 E N -0.076 120.210 120.200 0.143 0.000 2.347 601 E HA 0.075 4.428 4.350 0.004 0.000 0.196 601 E C 0.424 177.201 176.600 0.295 0.000 1.008 601 E CA 0.409 56.917 56.400 0.179 0.000 0.852 601 E CB 0.069 29.826 29.700 0.095 0.000 0.783 601 E HN 0.353 nan 8.360 nan 0.000 0.505 602 S N -1.313 114.491 115.700 0.173 0.000 2.766 602 S HA 0.341 4.813 4.470 0.004 0.000 0.307 602 S C 0.769 175.159 174.600 -0.351 0.000 1.121 602 S CA -0.788 57.395 58.200 -0.029 0.000 0.980 602 S CB 0.778 63.948 63.200 -0.051 0.000 1.159 602 S HN 0.061 nan 8.310 nan 0.000 0.546 603 L N 0.441 121.317 121.223 -0.578 0.000 2.478 603 L HA 0.224 4.567 4.340 0.004 0.000 0.223 603 L C -0.220 176.472 176.870 -0.296 0.000 1.140 603 L CA 0.212 54.673 54.840 -0.633 0.000 0.842 603 L CB 0.030 41.783 42.059 -0.510 0.000 0.953 603 L HN 0.428 nan 8.230 nan 0.000 0.452 604 V N 1.644 121.439 119.914 -0.199 0.000 2.311 604 V HA 0.241 4.364 4.120 0.004 0.000 0.275 604 V C 0.512 176.557 176.094 -0.081 0.000 1.022 604 V CA -0.710 61.506 62.300 -0.141 0.000 0.830 604 V CB 1.574 33.326 31.823 -0.118 0.000 1.012 604 V HN -0.027 nan 8.190 nan 0.000 0.452 605 I N 5.038 125.568 120.570 -0.065 0.000 2.754 605 I HA 0.295 4.468 4.170 0.004 0.000 0.285 605 I C 0.470 176.571 176.117 -0.027 0.000 1.166 605 I CA 0.365 61.651 61.300 -0.024 0.000 1.417 605 I CB 0.520 38.518 38.000 -0.003 0.000 1.382 605 I HN 0.643 nan 8.210 nan 0.000 0.588 606 K N 3.580 123.973 120.400 -0.011 0.000 2.439 606 K HA 0.292 4.615 4.320 0.004 0.000 0.260 606 K C 0.742 177.343 176.600 0.001 0.000 1.032 606 K CA -0.949 55.334 56.287 -0.005 0.000 0.882 606 K CB 1.840 34.339 32.500 -0.002 0.000 1.420 606 K HN 0.245 nan 8.250 nan 0.000 0.455 607 K N 1.665 122.068 120.400 0.004 0.000 2.113 607 K HA -0.177 4.146 4.320 0.004 0.000 0.208 607 K C 1.094 177.699 176.600 0.008 0.000 1.047 607 K CA 1.939 58.227 56.287 0.002 0.000 0.928 607 K CB 0.222 32.721 32.500 -0.001 0.000 0.716 607 K HN 0.645 nan 8.250 nan 0.000 0.446 608 E N 0.384 120.589 120.200 0.009 0.000 2.489 608 E HA 0.017 4.370 4.350 0.004 0.000 0.193 608 E C 0.149 176.761 176.600 0.019 0.000 1.057 608 E CA -0.031 56.377 56.400 0.013 0.000 0.866 608 E CB -0.100 29.605 29.700 0.008 0.000 0.916 608 E HN -0.036 nan 8.360 nan 0.000 0.500 609 S N 2.199 117.909 115.700 0.018 0.000 2.563 609 S HA 0.017 4.489 4.470 0.004 0.000 0.284 609 S C 0.170 174.785 174.600 0.025 0.000 1.331 609 S CA -0.186 58.026 58.200 0.021 0.000 1.047 609 S CB 0.458 63.668 63.200 0.016 0.000 0.859 609 S HN 0.186 nan 8.310 nan 0.000 0.514 610 D N 1.068 121.483 120.400 0.025 0.000 2.361 610 D HA 0.195 4.837 4.640 0.004 0.000 0.239 610 D C 0.067 176.374 176.300 0.011 0.000 1.200 610 D CA 0.064 54.079 54.000 0.026 0.000 0.915 610 D CB 0.414 41.228 40.800 0.024 0.000 1.170 610 D HN 0.206 nan 8.370 nan 0.000 0.444 611 I N 1.740 122.315 120.570 0.008 0.000 2.336 611 I HA 0.089 4.261 4.170 0.004 0.000 0.292 611 I C 0.252 176.332 176.117 -0.061 0.000 0.991 611 I CA -0.426 60.862 61.300 -0.020 0.000 1.227 611 I CB 1.142 39.138 38.000 -0.005 0.000 1.366 611 I HN 0.084 nan 8.210 nan 0.000 0.466 612 E N 7.753 127.907 120.200 -0.076 0.000 2.175 612 E HA 0.394 4.746 4.350 0.004 0.000 0.278 612 E C -2.364 174.129 176.600 -0.179 0.000 0.969 612 E CA -2.135 54.225 56.400 -0.067 0.000 0.796 612 E CB 1.323 31.038 29.700 0.025 0.000 1.104 612 E HN 0.220 nan 8.360 nan 0.000 0.395 613 P HA 0.019 nan 4.420 nan 0.000 0.264 613 P C -0.638 176.474 177.300 -0.314 0.000 1.193 613 P CA -0.151 62.502 63.100 -0.745 0.000 0.763 613 P CB 0.348 30.888 31.700 -1.933 0.000 0.810 614 L N 5.475 126.561 121.223 -0.228 0.000 2.362 614 L HA 0.561 4.904 4.340 0.004 0.000 0.275 614 L C -1.344 175.455 176.870 -0.118 0.000 0.998 614 L CA -0.315 54.477 54.840 -0.080 0.000 0.820 614 L CB 1.073 43.087 42.059 -0.076 0.000 1.270 614 L HN 0.172 nan 8.230 nan 0.000 0.415 615 I N 5.946 126.478 120.570 -0.064 0.000 2.466 615 I HA 0.354 4.527 4.170 0.004 0.000 0.289 615 I C -0.549 175.440 176.117 -0.213 0.000 1.026 615 I CA -0.629 60.545 61.300 -0.209 0.000 1.078 615 I CB 2.069 39.868 38.000 -0.335 0.000 1.249 615 I HN 0.251 nan 8.210 nan 0.000 0.429 616 V N 6.854 126.480 119.914 -0.479 0.000 2.406 616 V HA 0.291 4.413 4.120 0.004 0.000 0.272 616 V C 0.192 176.158 176.094 -0.214 0.000 1.043 616 V CA -0.614 61.412 62.300 -0.457 0.000 0.915 616 V CB 1.600 32.883 31.823 -0.899 0.000 0.988 616 V HN 0.510 nan 8.190 nan 0.000 0.466 617 V N 2.910 122.816 119.914 -0.013 0.000 2.435 617 V HA 0.618 4.740 4.120 0.004 0.000 0.290 617 V C -0.055 176.117 176.094 0.131 0.000 1.030 617 V CA -0.995 61.368 62.300 0.105 0.000 0.881 617 V CB 1.283 33.173 31.823 0.112 0.000 0.983 617 V HN 0.802 nan 8.190 nan 0.000 0.445 618 K N 0.000 120.503 120.400 0.172 0.000 2.780 618 K HA 0.000 4.322 4.320 0.004 0.000 0.191 618 K CA 0.000 56.373 56.287 0.143 0.000 0.838 618 K CB 0.000 32.588 32.500 0.147 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543